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Benzene and substituted derivatives

Benzene and substituted derivatives

Benzene is an aromatic organic molecule composed of six carbon atoms and six hydrogen atoms that form a ring. Includes substituted derivative compounds.
Fluorobenzenes (3,808)
Phenoxy compounds (3,086)
Trifluoromethylbenzenes (1,978)
Benzyl Derivatives (1,878)
Hydroxybenzoic Acid Derivatives (1,596)
Benzenesulfonamides (1,293)
Bromobenzenes (1,223)
Benzoyl derivatives (1,074)
Phenylmethylamines (1,006)
Phenylphosphines and derivatives (635)
Phenylpropanes (566)
Iodobenzenes (530)
Methoxybenzenes (526)
Diphenylmethanes (485)
Nitrobenzoic acids and derivatives (432)
Benzophenones (406)
Aniline and substituted anilines (402)
Styrenes (373)
Aminobenzoic acids and derivatives (295)
Benzenesulfonyl compounds (290)
Diphenylethers (289)
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Aminotoluenes (261)
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Phenylcarbamic acid esters (90)
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Cyclohexylphenols (66)
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Benzoic acids (54)
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Toluamides (50)
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Phenylpyruvic acid derivatives (10)
Alkyldimethylbenzylammonium halides (9)
Butyrophenones (9)
Toluene diisocyanates (9)
Benzoyl peroxides (5)
Peroxybenzoic acids and derivatives (5)
3-phenoxypropionic acids (3)
1 2-Dihalobenzenes (2)
2-phenoxypropionic acids (2)

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1 – 15 of 10,528 results
1

Benzyl Alcohol, 99%, Pure, Thermo Scientific Chemicals

CAS: 100-51-6 Molecular Formula: C7H8O Molecular Weight (g/mol): 108.14 MDL Number: MFCD00004599,MFCD03792087 InChI Key: WVDDGKGOMKODPV-UHFFFAOYSA-N Synonym: benzyl alcohol,benzenemethanol,phenylcarbinol,benzoyl alcohol,hydroxytoluene,benzenecarbinol,phenylmethyl alcohol,alpha-toluenol,hydroxymethyl benzene,benzylalcohol PubChem CID: 244 ChEBI: CHEBI:17987 IUPAC Name: phenylmethanol SMILES: OCC1=CC=CC=C1

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PubChem CID 244
CAS 100-51-6
Molecular Weight (g/mol) 108.14
ChEBI CHEBI:17987
MDL Number MFCD00004599,MFCD03792087
SMILES OCC1=CC=CC=C1
Synonym benzyl alcohol,benzenemethanol,phenylcarbinol,benzoyl alcohol,hydroxytoluene,benzenecarbinol,phenylmethyl alcohol,alpha-toluenol,hydroxymethyl benzene,benzylalcohol
IUPAC Name phenylmethanol
InChI Key WVDDGKGOMKODPV-UHFFFAOYSA-N
Molecular Formula C7H8O
2

2-Phenoxyethanol, 99%, Thermo Scientific Chemicals

CAS: 122-99-6 Molecular Formula: C8H10O2 Molecular Weight (g/mol): 138.17 MDL Number: MFCD00002857 InChI Key: QCDWFXQBSFUVSP-UHFFFAOYSA-N Synonym: phenoxyethanol,ethylene glycol monophenyl ether,phenyl cellosolve,ethanol, 2-phenoxy,phenoxytol,phenoxethol,phenoxetol,ethylene glycol phenyl ether,phenoxyethyl alcohol,1-hydroxy-2-phenoxyethane PubChem CID: 31236 ChEBI: CHEBI:64275 IUPAC Name: 2-phenoxyethanol SMILES: C1=CC=C(C=C1)OCCO

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PubChem CID 31236
CAS 122-99-6
Molecular Weight (g/mol) 138.17
ChEBI CHEBI:64275
MDL Number MFCD00002857
SMILES C1=CC=C(C=C1)OCCO
Synonym phenoxyethanol,ethylene glycol monophenyl ether,phenyl cellosolve,ethanol, 2-phenoxy,phenoxytol,phenoxethol,phenoxetol,ethylene glycol phenyl ether,phenoxyethyl alcohol,1-hydroxy-2-phenoxyethane
IUPAC Name 2-phenoxyethanol
InChI Key QCDWFXQBSFUVSP-UHFFFAOYSA-N
Molecular Formula C8H10O2
3

1,5-Diphenylcarbazide, ACS, Thermo Scientific Chemicals

CAS: 140-22-7 Molecular Formula: C13H14N4O Molecular Weight (g/mol): 242.282 MDL Number: MFCD00003013 InChI Key: KSPIHGBHKVISFI-UHFFFAOYSA-N Synonym: 1,5-diphenylcarbazide,diphenylcarbazide,1,5-diphenylcarbohydrazide,carbonic dihydrazide, 2,2'-diphenyl,1,5-diphenylcarbonohydrazide,1,5-diphenylcabohydrazide,sym-diphenylcarbazide,n,n'-diphenylcarbazide,2,2'-diphenylcarbazide,carbohydrazide, 1,5-diphenyl PubChem CID: 8789 ChEBI: CHEBI:4641 IUPAC Name: 1,3-dianilinourea SMILES: C1=CC=C(C=C1)NNC(=O)NNC2=CC=CC=C2

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PubChem CID 8789
CAS 140-22-7
Molecular Weight (g/mol) 242.282
ChEBI CHEBI:4641
MDL Number MFCD00003013
SMILES C1=CC=C(C=C1)NNC(=O)NNC2=CC=CC=C2
Synonym 1,5-diphenylcarbazide,diphenylcarbazide,1,5-diphenylcarbohydrazide,carbonic dihydrazide, 2,2'-diphenyl,1,5-diphenylcarbonohydrazide,1,5-diphenylcabohydrazide,sym-diphenylcarbazide,n,n'-diphenylcarbazide,2,2'-diphenylcarbazide,carbohydrazide, 1,5-diphenyl
IUPAC Name 1,3-dianilinourea
InChI Key KSPIHGBHKVISFI-UHFFFAOYSA-N
Molecular Formula C13H14N4O
4

Sodium Salicylate, 99%, Thermo Scientific Chemicals

CAS: 54-21-7 Molecular Formula: C7H5NaO3 Molecular Weight (g/mol): 160.104 MDL Number: MFCD00002440 InChI Key: ABBQHOQBGMUPJH-UHFFFAOYSA-M Synonym: sodium salicylate,sodium 2-hydroxybenzoate,salsonin,clin,enterosalicyl,enterosalil,entrosalyl,glutosalyl,kerasalicyl,magsalyl PubChem CID: 16760658 ChEBI: CHEBI:9180 IUPAC Name: sodium;2-hydroxybenzoate SMILES: C1=CC=C(C(=C1)C(=O)[O-])O.[Na+]

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PubChem CID 16760658
CAS 54-21-7
Molecular Weight (g/mol) 160.104
ChEBI CHEBI:9180
MDL Number MFCD00002440
SMILES C1=CC=C(C(=C1)C(=O)[O-])O.[Na+]
Synonym sodium salicylate,sodium 2-hydroxybenzoate,salsonin,clin,enterosalicyl,enterosalil,entrosalyl,glutosalyl,kerasalicyl,magsalyl
IUPAC Name sodium;2-hydroxybenzoate
InChI Key ABBQHOQBGMUPJH-UHFFFAOYSA-M
Molecular Formula C7H5NaO3
5

Methyl 4-hydroxybenzoate, 99%, Thermo Scientific Chemicals

CAS: 99-76-3 Molecular Formula: C8H8O3 Molecular Weight (g/mol): 152.149 MDL Number: MFCD00002352 InChI Key: LXCFILQKKLGQFO-UHFFFAOYSA-N Synonym: methylparaben,methyl paraben,methyl p-hydroxybenzoate,nipagin,methyl parahydroxybenzoate,maseptol,p-hydroxybenzoic acid methyl ester,4-hydroxybenzoic acid methyl ester,p-carbomethoxyphenol,tegosept m PubChem CID: 7456 ChEBI: CHEBI:31835 IUPAC Name: methyl 4-hydroxybenzoate SMILES: COC(=O)C1=CC=C(C=C1)O

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PubChem CID 7456
CAS 99-76-3
Molecular Weight (g/mol) 152.149
ChEBI CHEBI:31835
MDL Number MFCD00002352
SMILES COC(=O)C1=CC=C(C=C1)O
Synonym methylparaben,methyl paraben,methyl p-hydroxybenzoate,nipagin,methyl parahydroxybenzoate,maseptol,p-hydroxybenzoic acid methyl ester,4-hydroxybenzoic acid methyl ester,p-carbomethoxyphenol,tegosept m
IUPAC Name methyl 4-hydroxybenzoate
InChI Key LXCFILQKKLGQFO-UHFFFAOYSA-N
Molecular Formula C8H8O3
6

Triphenylphosphine oxide, 99%, Thermo Scientific Chemicals

CAS: 791-28-6 Molecular Formula: C18H15OP Molecular Weight (g/mol): 278.29 MDL Number: MFCD00002080 MFCD03458802 InChI Key: FIQMHBFVRAXMOP-UHFFFAOYSA-N Synonym: triphenylphosphine oxide,phosphine oxide, triphenyl,triphenyl phosphorus oxide,triphenyl phosphine oxide,triphenylphosphane oxide,tppo,triphenylphosphineoxide,ph3po,diphenylphosphoroso benzene,triphenylphosphanoxid PubChem CID: 13097 ChEBI: CHEBI:36601 IUPAC Name: diphenylphosphorylbenzene SMILES: O=P(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1

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PubChem CID 13097
CAS 791-28-6
Molecular Weight (g/mol) 278.29
ChEBI CHEBI:36601
MDL Number MFCD00002080 MFCD03458802
SMILES O=P(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
Synonym triphenylphosphine oxide,phosphine oxide, triphenyl,triphenyl phosphorus oxide,triphenyl phosphine oxide,triphenylphosphane oxide,tppo,triphenylphosphineoxide,ph3po,diphenylphosphoroso benzene,triphenylphosphanoxid
IUPAC Name diphenylphosphorylbenzene
InChI Key FIQMHBFVRAXMOP-UHFFFAOYSA-N
Molecular Formula C18H15OP
7

3-Chloroperoxybenzoic acid, 70-75%, balance 3-Chlorobenzoic acid and water, Thermo Scientific Chemicals

3-Chloroperoxybenzoic acid, 70-75%, C7H5ClO3, CAS Number-937-14-4, 535-80-8, 7732-18-5

Linear Formula ClC6H4CO3H
Molecular Weight (g/mol) 172.56
ChEBI CHEBI:52091
CAS Min % 25.0
InChI Key NHQDETIJWKXCTC-UHFFFAOYSA-N
Density 0.5600g/mL
PubChem CID 70297
Name Note 70 - 75%
Percent Purity 70-75%
Fieser 01,135; 02,68; 03,49; 04,85; 05,120; 06,110; 07,62; 08,97; 09,108; 10,92; 11,122; 12,118; 13,76; 15,86; 16,80; 17,76
RTECS Number SD9470000
Formula Weight 172.57
Melting Point 92.0°C to 94.0°C
CAS Max % 30.0
Color White
Physical Form Moist Powder
SMILES OOC(=O)C1=CC=CC(Cl)=C1
Merck Index 15,2154
Assay Percent Range di-m-Chlorobenzoyl peroxide: < 0.1% Typical (HPLC)
CAS 7732-18-5
Health Hazard 3 GHS P Statement
Wear protective gloves/protective clothing/eye protection/face protection.
Keep away from heat/sparks/open flames/hot surfaces.
- No smoking.
Keep/Store away from clothing/ combustible materials.
IF SWALLOWED: rin
MDL Number MFCD00002127
Health Hazard 2 GHS H Statement
Causes severe skin burns and eye damage.
Harmful if swallowed.
Heating may cause a fire.
Solubility Information Solubility in water: insoluble. Other solubilities: soluble in koh, soluble in chloroform and acetone
Health Hazard 1 GHS Signal Word: Danger
Synonym 3-chloroperoxybenzoic acid,3-chloroperbenzoic acid,mcpba,m-chloroperbenzoic acid,m-chloroperoxybenzoic acid,meta-chloroperoxybenzoic acid,benzenecarboperoxoic acid, 3-chloro,m-chlorobenzoyl hydroperoxide,meta-chloroperbenzoic acid,3-chlorobenzoperoxoic acid
TSCA TSCA
IUPAC Name 3-chlorobenzenecarboperoxoic acid
Beilstein 09,IV,972
Molecular Formula C7H5ClO3
EINECS Number 213-322-3
Specific Gravity 0.56
8

Triphenylphosphine, 99%, Thermo Scientific Chemicals

CAS: 603-35-0 Molecular Formula: C18H15P Molecular Weight (g/mol): 262.29 MDL Number: MFCD00003043 MFCD20489348 InChI Key: RIOQSEWOXXDEQQ-UHFFFAOYSA-N Synonym: triphenylphosphine,triphenyl phosphine,phosphine, triphenyl,triphenylphosphorus,triphenyl-phosphane,triphenylphosphide,phosphorustriphenyl,trifenylfosfin,trifenylfosfin czech,triphenylphosphine resin PubChem CID: 11776 IUPAC Name: triphenylphosphane SMILES: C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1

PubChem CID 11776
CAS 603-35-0
Molecular Weight (g/mol) 262.29
MDL Number MFCD00003043 MFCD20489348
SMILES C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1
Synonym triphenylphosphine,triphenyl phosphine,phosphine, triphenyl,triphenylphosphorus,triphenyl-phosphane,triphenylphosphide,phosphorustriphenyl,trifenylfosfin,trifenylfosfin czech,triphenylphosphine resin
IUPAC Name triphenylphosphane
InChI Key RIOQSEWOXXDEQQ-UHFFFAOYSA-N
Molecular Formula C18H15P
9

Anisole, 99%, pure, Thermo Scientific Chemicals

CAS: 100-66-3 Molecular Formula: C7H8O Molecular Weight (g/mol): 108.14 InChI Key: RDOXTESZEPMUJZ-UHFFFAOYSA-N Synonym: methoxybenzene,methyl phenyl ether,benzene, methoxy,anisol,phenyl methyl ether,phenoxymethane,anizol,phenol methyl ether,methoxy-benzene PubChem CID: 7519 ChEBI: CHEBI:16579 IUPAC Name: anisole SMILES: COC1=CC=CC=C1

PubChem CID 7519
CAS 100-66-3
Molecular Weight (g/mol) 108.14
ChEBI CHEBI:16579
SMILES COC1=CC=CC=C1
Synonym methoxybenzene,methyl phenyl ether,benzene, methoxy,anisol,phenyl methyl ether,phenoxymethane,anizol,phenol methyl ether,methoxy-benzene
IUPAC Name anisole
InChI Key RDOXTESZEPMUJZ-UHFFFAOYSA-N
Molecular Formula C7H8O
10

Styrene, 99%, extra pure, stabilized, Thermo Scientific Chemicals

CAS: 100-42-5 Molecular Formula: C8H8 Molecular Weight (g/mol): 104.15 MDL Number: MFCD00008612,MFCD00084450 InChI Key: PPBRXRYQALVLMV-UHFFFAOYSA-N Synonym: ethenylbenzene,phenylethylene,vinylbenzene,styrol,benzene, ethenyl,cinnamene,phenylethene,monomer,phenethylene,styrolene PubChem CID: 7501 ChEBI: CHEBI:27452 IUPAC Name: styrene SMILES: C=CC1=CC=CC=C1

PubChem CID 7501
CAS 100-42-5
Molecular Weight (g/mol) 104.15
ChEBI CHEBI:27452
MDL Number MFCD00008612,MFCD00084450
SMILES C=CC1=CC=CC=C1
Synonym ethenylbenzene,phenylethylene,vinylbenzene,styrol,benzene, ethenyl,cinnamene,phenylethene,monomer,phenethylene,styrolene
IUPAC Name styrene
InChI Key PPBRXRYQALVLMV-UHFFFAOYSA-N
Molecular Formula C8H8
11

2,6-Di-tert-butyl-4-methylphenol, 99.8%, Thermo Scientific Chemicals

CAS: 128-37-0 Molecular Formula: C15H24O Molecular Weight (g/mol): 220.35 MDL Number: MFCD00011644 InChI Key: NLZUEZXRPGMBCV-UHFFFAOYSA-N Synonym: 2,6-di-tert-butyl-4-methylphenol,butylated hydroxytoluene,butylhydroxytoluene,2,6-di-tert-butyl-p-cresol,2,6-di-t-butyl-4-methylphenol,ionol,dbpc,dibunol,stavox,bht PubChem CID: 31404 ChEBI: CHEBI:34247 IUPAC Name: 2,6-ditert-butyl-4-methylphenol SMILES: CC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C

PubChem CID 31404
CAS 128-37-0
Molecular Weight (g/mol) 220.35
ChEBI CHEBI:34247
MDL Number MFCD00011644
SMILES CC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C
Synonym 2,6-di-tert-butyl-4-methylphenol,butylated hydroxytoluene,butylhydroxytoluene,2,6-di-tert-butyl-p-cresol,2,6-di-t-butyl-4-methylphenol,ionol,dbpc,dibunol,stavox,bht
IUPAC Name 2,6-ditert-butyl-4-methylphenol
InChI Key NLZUEZXRPGMBCV-UHFFFAOYSA-N
Molecular Formula C15H24O
12

Triphenyl phosphite, 99%, Thermo Scientific Chemicals

CAS: 101-02-0 Molecular Formula: C18H15O3P Molecular Weight (g/mol): 310.28 InChI Key: HVLLSGMXQDNUAL-UHFFFAOYSA-N Synonym: phosphorous acid, triphenyl ester,advance tpp,triphenoxyphosphine,phenyl phosphite,stabilizer p 36,trifenoxyfosfin,trifenylfosfit,phosclere t 36,efed,mellite 310 PubChem CID: 7540 IUPAC Name: triphenyl phosphite SMILES: C1=CC=C(C=C1)OP(OC2=CC=CC=C2)OC3=CC=CC=C3

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PubChem CID 7540
CAS 101-02-0
Molecular Weight (g/mol) 310.28
SMILES C1=CC=C(C=C1)OP(OC2=CC=CC=C2)OC3=CC=CC=C3
Synonym phosphorous acid, triphenyl ester,advance tpp,triphenoxyphosphine,phenyl phosphite,stabilizer p 36,trifenoxyfosfin,trifenylfosfit,phosclere t 36,efed,mellite 310
IUPAC Name triphenyl phosphite
InChI Key HVLLSGMXQDNUAL-UHFFFAOYSA-N
Molecular Formula C18H15O3P
13

Dithizone, 98%, Thermo Scientific Chemicals

CAS: 60-10-6 Molecular Formula: C13H12N4S Molecular Weight (g/mol): 256.33 MDL Number: MFCD00003025 InChI Key: UOFGSWVZMUXXIY-UHFFFAOYSA-N Synonym: dithizone,dithizon,ditizon,carbazone, diphenylthio,usaf ek-3092,diazenecarbothioic acid, phenyl-, 2-phenylhydrazide,1,5-diphenyl-3-mercaptoformazan,3-formazanthiol, 1,5-diphenyl,unii-njz2cj4d6p,1,5-diphenyl-3-thiocarbazone PubChem CID: 657262 SMILES: S=C(NNC1=CC=CC=C1)N=NC1=CC=CC=C1

PubChem CID 657262
CAS 60-10-6
Molecular Weight (g/mol) 256.33
MDL Number MFCD00003025
SMILES S=C(NNC1=CC=CC=C1)N=NC1=CC=CC=C1
Synonym dithizone,dithizon,ditizon,carbazone, diphenylthio,usaf ek-3092,diazenecarbothioic acid, phenyl-, 2-phenylhydrazide,1,5-diphenyl-3-mercaptoformazan,3-formazanthiol, 1,5-diphenyl,unii-njz2cj4d6p,1,5-diphenyl-3-thiocarbazone
InChI Key UOFGSWVZMUXXIY-UHFFFAOYSA-N
Molecular Formula C13H12N4S
14

Benzyl bromide, 98%, Thermo Scientific Chemicals

CAS: 100-39-0 MDL Number: MFCD00000172 InChI Key: AGEZXYOZHKGVCM-UHFFFAOYSA-N Synonym: benzyl bromide,bromomethyl benzene,alpha-bromotoluene,bromophenylmethane,benzene, bromomethyl,phenylmethyl bromide,1-bromotoluene,benzylbromide,cyclite PubChem CID: 7498 ChEBI: CHEBI:59858 IUPAC Name: bromomethylbenzene SMILES: C1=CC=C(C=C1)CBr

PubChem CID 7498
CAS 100-39-0
ChEBI CHEBI:59858
MDL Number MFCD00000172
SMILES C1=CC=C(C=C1)CBr
Synonym benzyl bromide,bromomethyl benzene,alpha-bromotoluene,bromophenylmethane,benzene, bromomethyl,phenylmethyl bromide,1-bromotoluene,benzylbromide,cyclite
IUPAC Name bromomethylbenzene
InChI Key AGEZXYOZHKGVCM-UHFFFAOYSA-N
15

p-Anisaldehyde, 99+%, Thermo Scientific Chemicals

CAS: 123-11-5 Molecular Formula: C8H8O2 Molecular Weight (g/mol): 136.15 MDL Number: MFCD00003385 InChI Key: ZRSNZINYAWTAHE-UHFFFAOYSA-N Synonym: p-anisaldehyde,anisaldehyde,anisic aldehyde,p-methoxybenzaldehyde,4-anisaldehyde,aubepine,p-anisic aldehyde,p-formylanisole,benzaldehyde, 4-methoxy,crategine PubChem CID: 31244 ChEBI: CHEBI:28235 IUPAC Name: 4-methoxybenzaldehyde SMILES: COC1=CC=C(C=C1)C=O

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PubChem CID 31244
CAS 123-11-5
Molecular Weight (g/mol) 136.15
ChEBI CHEBI:28235
MDL Number MFCD00003385
SMILES COC1=CC=C(C=C1)C=O
Synonym p-anisaldehyde,anisaldehyde,anisic aldehyde,p-methoxybenzaldehyde,4-anisaldehyde,aubepine,p-anisic aldehyde,p-formylanisole,benzaldehyde, 4-methoxy,crategine
IUPAC Name 4-methoxybenzaldehyde
InChI Key ZRSNZINYAWTAHE-UHFFFAOYSA-N
Molecular Formula C8H8O2