Isocyanates

Isocyanates
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4-Nitrophenyl isocyanate, 97%, Thermo Scientific Chemicals
CAS: 100-28-7 Molecular Formula: C7H4N2O3 Molecular Weight (g/mol): 164.12 MDL Number: MFCD00007306 InChI Key: GFNKTLQTQSALEJ-UHFFFAOYSA-N Synonym: 4-nitrophenyl isocyanate,p-nitrophenyl isocyanate,benzene, 1-isocyanato-4-nitro,4-nitrophenylisocyanate,p-nitrophenylisocyanate,isocyanic acid, p-nitrophenyl ester,1-isocyanato-4-nitro-benzene,isocyanic acid 4-nitrophenyl ester,timtec-bb sbb006628,4-nitrobenzenisocyanate PubChem CID: 66012 IUPAC Name: 1-isocyanato-4-nitrobenzene SMILES: C1=CC(=CC=C1N=C=O)[N+](=O)[O-]
PubChem CID | 66012 |
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CAS | 100-28-7 |
Molecular Weight (g/mol) | 164.12 |
MDL Number | MFCD00007306 |
SMILES | C1=CC(=CC=C1N=C=O)[N+](=O)[O-] |
Synonym | 4-nitrophenyl isocyanate,p-nitrophenyl isocyanate,benzene, 1-isocyanato-4-nitro,4-nitrophenylisocyanate,p-nitrophenylisocyanate,isocyanic acid, p-nitrophenyl ester,1-isocyanato-4-nitro-benzene,isocyanic acid 4-nitrophenyl ester,timtec-bb sbb006628,4-nitrobenzenisocyanate |
IUPAC Name | 1-isocyanato-4-nitrobenzene |
InChI Key | GFNKTLQTQSALEJ-UHFFFAOYSA-N |
Molecular Formula | C7H4N2O3 |
Isophorone diisocyanate, 98+%, mixture of isomers, Thermo Scientific Chemicals
CAS: 4098-71-9 Molecular Formula: C12H18N2O2 Molecular Weight (g/mol): 222.29 MDL Number: MFCD00064956 InChI Key: NIMLQBUJDJZYEJ-UHFFFAOYNA-N Synonym: isophorone diisocyanate,ipdi,isophorone diamine diisocyanate,5-isocyanato-1-isocyanatomethyl-1,3,3-trimethylcyclohexane,3-isocyanatomethyl-3,5,5-trimethylcyclohexylisocyanate,cyclohexane, 5-isocyanato-1-isocyanatomethyl-1,3,3-trimethyl,3-isocyanatomethyl-3,5,5-trimethylcyclohexyl isocyanate,ccris 6252,isocyanic acid, methylene 3,5,5-trimethyl-3,1-cyclohexylene ester,isophorone diisocyanate diisocyanates PubChem CID: 169132 ChEBI: CHEBI:53214 IUPAC Name: 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane SMILES: CC1(C)CC(CC(C)(CN=C=O)C1)N=C=O
PubChem CID | 169132 |
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CAS | 4098-71-9 |
Molecular Weight (g/mol) | 222.29 |
ChEBI | CHEBI:53214 |
MDL Number | MFCD00064956 |
SMILES | CC1(C)CC(CC(C)(CN=C=O)C1)N=C=O |
Synonym | isophorone diisocyanate,ipdi,isophorone diamine diisocyanate,5-isocyanato-1-isocyanatomethyl-1,3,3-trimethylcyclohexane,3-isocyanatomethyl-3,5,5-trimethylcyclohexylisocyanate,cyclohexane, 5-isocyanato-1-isocyanatomethyl-1,3,3-trimethyl,3-isocyanatomethyl-3,5,5-trimethylcyclohexyl isocyanate,ccris 6252,isocyanic acid, methylene 3,5,5-trimethyl-3,1-cyclohexylene ester,isophorone diisocyanate diisocyanates |
IUPAC Name | 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane |
InChI Key | NIMLQBUJDJZYEJ-UHFFFAOYNA-N |
Molecular Formula | C12H18N2O2 |
Boiling Point | 60°C to 61°C |
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Percent Purity | 98% |
Physical Form | Liquid |
4-n-Butylphenyl isocyanate, 98%, Thermo Scientific Chemicals
CAS: 69342-47-8 Molecular Formula: C11H13NO Molecular Weight (g/mol): 175.231 MDL Number: MFCD00013882 InChI Key: LJJRXPXDTAUVQU-UHFFFAOYSA-N Synonym: 4-butylphenyl isocyanate,4-n-butylphenyl isocyanate,benzene, 1-butyl-4-isocyanato,benzene,1-butyl-4-isocyanato,4-butylbenzenisocyanate,4-butylphenylisocyanate,acmc-209o7f,1-butyl-4-isocyanato-benzene,4-n-butyl phenyl isocyanate PubChem CID: 2796313 IUPAC Name: 1-butyl-4-isocyanatobenzene SMILES: CCCCC1=CC=C(C=C1)N=C=O
PubChem CID | 2796313 |
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CAS | 69342-47-8 |
Molecular Weight (g/mol) | 175.231 |
MDL Number | MFCD00013882 |
SMILES | CCCCC1=CC=C(C=C1)N=C=O |
Synonym | 4-butylphenyl isocyanate,4-n-butylphenyl isocyanate,benzene, 1-butyl-4-isocyanato,benzene,1-butyl-4-isocyanato,4-butylbenzenisocyanate,4-butylphenylisocyanate,acmc-209o7f,1-butyl-4-isocyanato-benzene,4-n-butyl phenyl isocyanate |
IUPAC Name | 1-butyl-4-isocyanatobenzene |
InChI Key | LJJRXPXDTAUVQU-UHFFFAOYSA-N |
Molecular Formula | C11H13NO |
1-Naphthyl isocyanate, 98%, Thermo Scientific Chemicals
CAS: 86-84-0 Molecular Formula: C11H7NO MDL Number: MFCD00003881 InChI Key: BDQNKCYCTYYMAA-UHFFFAOYSA-N Synonym: 1-naphthyl isocyanate,naphthalene, 1-isocyanato,alpha-naphthyl isocyanate,isocyanatonaphthalene,1-naphthylisocyanate,1-isocyanato-naphthalene,unii-5lh2p0691e,1-isocyanatonapthalene,isocyanic acid 1-naphthyl ester,isocyanic acid, 1-naphthyl ester PubChem CID: 66589 IUPAC Name: 1-isocyanatonaphthalene
PubChem CID | 66589 |
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CAS | 86-84-0 |
MDL Number | MFCD00003881 |
Synonym | 1-naphthyl isocyanate,naphthalene, 1-isocyanato,alpha-naphthyl isocyanate,isocyanatonaphthalene,1-naphthylisocyanate,1-isocyanato-naphthalene,unii-5lh2p0691e,1-isocyanatonapthalene,isocyanic acid 1-naphthyl ester,isocyanic acid, 1-naphthyl ester |
IUPAC Name | 1-isocyanatonaphthalene |
InChI Key | BDQNKCYCTYYMAA-UHFFFAOYSA-N |
Molecular Formula | C11H7NO |
1,6-Diisocyanatohexane, 99+%, Thermo Scientific Chemicals
CAS: 822-06-0 Molecular Formula: C8H12N2O2 Molecular Weight (g/mol): 168.20 MDL Number: MFCD00002047 InChI Key: RRAMGCGOFNQTLD-UHFFFAOYSA-N Synonym: hexamethylene diisocyanate,1,6-hexamethylene diisocyanate,hmdi,hexane, 1,6-diisocyanato,hexane 1,6-diisocyanate,1,6-hexylene diisocyanate,hexamethylene-1,6-diisocyanate,1,6-hexanediol diisocyanate,hdi,isocyanic acid, hexamethylene ester PubChem CID: 13192 ChEBI: CHEBI:53578 IUPAC Name: 1,6-diisocyanatohexane SMILES: O=C=NCCCCCCN=C=O
PubChem CID | 13192 |
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CAS | 822-06-0 |
Molecular Weight (g/mol) | 168.20 |
ChEBI | CHEBI:53578 |
MDL Number | MFCD00002047 |
SMILES | O=C=NCCCCCCN=C=O |
Synonym | hexamethylene diisocyanate,1,6-hexamethylene diisocyanate,hmdi,hexane, 1,6-diisocyanato,hexane 1,6-diisocyanate,1,6-hexylene diisocyanate,hexamethylene-1,6-diisocyanate,1,6-hexanediol diisocyanate,hdi,isocyanic acid, hexamethylene ester |
IUPAC Name | 1,6-diisocyanatohexane |
InChI Key | RRAMGCGOFNQTLD-UHFFFAOYSA-N |
Molecular Formula | C8H12N2O2 |
Pentyl isocyanate, 98%, Thermo Scientific Chemicals
CAS: 3954-13-0 Molecular Formula: C6H11NO Molecular Weight (g/mol): 113.16 MDL Number: MFCD00144846 InChI Key: VRVUKQWNRPNACD-UHFFFAOYSA-N Synonym: pentyl isocyanate,pentylisocyanate,pentane, 1-isocyanato,1-pentyl isocyanate,n-pentyl isocyanate,1-isocyanato-pentane,amylisocyanat,n-pentylisocyanate,n-amyl isocyanate,acmc-1clhg PubChem CID: 206036 IUPAC Name: 1-isocyanatopentane SMILES: CCCCCN=C=O
PubChem CID | 206036 |
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CAS | 3954-13-0 |
Molecular Weight (g/mol) | 113.16 |
MDL Number | MFCD00144846 |
SMILES | CCCCCN=C=O |
Synonym | pentyl isocyanate,pentylisocyanate,pentane, 1-isocyanato,1-pentyl isocyanate,n-pentyl isocyanate,1-isocyanato-pentane,amylisocyanat,n-pentylisocyanate,n-amyl isocyanate,acmc-1clhg |
IUPAC Name | 1-isocyanatopentane |
InChI Key | VRVUKQWNRPNACD-UHFFFAOYSA-N |
Molecular Formula | C6H11NO |
Benzoyl isocyanate, 90%, Tech., Thermo Scientific Chemicals
CAS: 4461-33-0 Molecular Formula: C8H5NO2 Molecular Weight (g/mol): 147.13 MDL Number: MFCD00002032 InChI Key: LURYMYITPCOQAU-UHFFFAOYSA-N Synonym: benzoylisocyanate,methanone, 1-phenyl-1-isocyanato,oxophenylmethanisocyanate,benzoyl isocynate,phconco,acmc-20alpt,pubchem7575,isocyanato phenyl methanone,isocyanato-phenyl-methanone,9ci PubChem CID: 78210 IUPAC Name: benzoyl isocyanate SMILES: C1=CC=C(C=C1)C(=O)N=C=O
PubChem CID | 78210 |
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CAS | 4461-33-0 |
Molecular Weight (g/mol) | 147.13 |
MDL Number | MFCD00002032 |
SMILES | C1=CC=C(C=C1)C(=O)N=C=O |
Synonym | benzoylisocyanate,methanone, 1-phenyl-1-isocyanato,oxophenylmethanisocyanate,benzoyl isocynate,phconco,acmc-20alpt,pubchem7575,isocyanato phenyl methanone,isocyanato-phenyl-methanone,9ci |
IUPAC Name | benzoyl isocyanate |
InChI Key | LURYMYITPCOQAU-UHFFFAOYSA-N |
Molecular Formula | C8H5NO2 |
4-Cyanophenyl isocyanate, 95%, Thermo Scientific Chemicals
CAS: 40465-45-0 Molecular Formula: C8H4N2O Molecular Weight (g/mol): 144.13 MDL Number: MFCD00037038 InChI Key: TVSXDZNUTPLDKY-UHFFFAOYSA-N PubChem CID: 170380 IUPAC Name: 4-isocyanatobenzonitrile SMILES: C1=CC(=CC=C1C#N)N=C=O
PubChem CID | 170380 |
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CAS | 40465-45-0 |
Molecular Weight (g/mol) | 144.13 |
MDL Number | MFCD00037038 |
SMILES | C1=CC(=CC=C1C#N)N=C=O |
IUPAC Name | 4-isocyanatobenzonitrile |
InChI Key | TVSXDZNUTPLDKY-UHFFFAOYSA-N |
Molecular Formula | C8H4N2O |
3-Cyanophenyl isocyanate, 97%, Thermo Scientific Chemicals
CAS: 16413-26-6 Molecular Formula: C8H4N2O Molecular Weight (g/mol): 144.13 MDL Number: MFCD00013856 InChI Key: NZHPVPMRNASEQK-UHFFFAOYSA-N Synonym: 3-cyanophenyl isocyanate,3-cyanophenylisocyanate,benzonitrile, 3-isocyanato,3-isocyanatobenzenecarbonitrile,m-cyanophenyl isocyanate,m-cyanophenylisocyanate,pubchem5028,3-isocyanato-benzonitrile,acmc-1c7a7,paragos 331038 PubChem CID: 2733315 IUPAC Name: 3-isocyanatobenzonitrile SMILES: C1=CC(=CC(=C1)N=C=O)C#N
PubChem CID | 2733315 |
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CAS | 16413-26-6 |
Molecular Weight (g/mol) | 144.13 |
MDL Number | MFCD00013856 |
SMILES | C1=CC(=CC(=C1)N=C=O)C#N |
Synonym | 3-cyanophenyl isocyanate,3-cyanophenylisocyanate,benzonitrile, 3-isocyanato,3-isocyanatobenzenecarbonitrile,m-cyanophenyl isocyanate,m-cyanophenylisocyanate,pubchem5028,3-isocyanato-benzonitrile,acmc-1c7a7,paragos 331038 |
IUPAC Name | 3-isocyanatobenzonitrile |
InChI Key | NZHPVPMRNASEQK-UHFFFAOYSA-N |
Molecular Formula | C8H4N2O |
4-n-Butoxyphenyl isocyanate, 98%, Thermo Scientific Chemicals
CAS: 28439-86-3 Molecular Formula: C11H13NO2 Molecular Weight (g/mol): 191.23 MDL Number: MFCD00037042 InChI Key: ASFIDVOMDQBCNP-UHFFFAOYSA-N Synonym: 4-n-butoxyphenyl isocyanate,4-butoxyphenyl isocyanate,benzene, 1-butoxy-4-isocyanato,1-butoxy-4-isocyanato-benzene,pubchem16232,4-butoxybenzenisocyanate PubChem CID: 2769629 IUPAC Name: 1-butoxy-4-isocyanatobenzene SMILES: CCCCOC1=CC=C(C=C1)N=C=O
PubChem CID | 2769629 |
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CAS | 28439-86-3 |
Molecular Weight (g/mol) | 191.23 |
MDL Number | MFCD00037042 |
SMILES | CCCCOC1=CC=C(C=C1)N=C=O |
Synonym | 4-n-butoxyphenyl isocyanate,4-butoxyphenyl isocyanate,benzene, 1-butoxy-4-isocyanato,1-butoxy-4-isocyanato-benzene,pubchem16232,4-butoxybenzenisocyanate |
IUPAC Name | 1-butoxy-4-isocyanatobenzene |
InChI Key | ASFIDVOMDQBCNP-UHFFFAOYSA-N |
Molecular Formula | C11H13NO2 |
Hexyl isocyanate, 99%, Thermo Scientific Chemicals
CAS: 2525-62-4 Molecular Formula: C7H13NO Molecular Weight (g/mol): 127.19 MDL Number: MFCD00037047 InChI Key: ANJPRQPHZGHVQB-UHFFFAOYSA-N Synonym: hexyl isocyanate,hexane, 1-isocyanato,1-hexyl isocyanate,hexylmonoisocyanate,hexyl monoisocyanate,hexylisocyanate,n-hexyl isocyanate,hexanisocyanate,isocyanatohexane,isocyanato-hexane PubChem CID: 75659 ChEBI: CHEBI:59058 IUPAC Name: 1-isocyanatohexane SMILES: CCCCCCN=C=O
PubChem CID | 75659 |
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CAS | 2525-62-4 |
Molecular Weight (g/mol) | 127.19 |
ChEBI | CHEBI:59058 |
MDL Number | MFCD00037047 |
SMILES | CCCCCCN=C=O |
Synonym | hexyl isocyanate,hexane, 1-isocyanato,1-hexyl isocyanate,hexylmonoisocyanate,hexyl monoisocyanate,hexylisocyanate,n-hexyl isocyanate,hexanisocyanate,isocyanatohexane,isocyanato-hexane |
IUPAC Name | 1-isocyanatohexane |
InChI Key | ANJPRQPHZGHVQB-UHFFFAOYSA-N |
Molecular Formula | C7H13NO |
(R)-(+)-1-Phenylethyl isocyanate, 99%, Thermo Scientific Chemicals
CAS: 33375-06-3 Molecular Formula: C9H9NO Molecular Weight (g/mol): 147.177 MDL Number: MFCD00063015 InChI Key: JJSCUXAFAJEQGB-MRVPVSSYSA-N Synonym: r-+-1-phenylethyl isocyanate,1r-1-isocyanatoethyl benzene,r-+-alpha-methylbenzyl isocyanate,benzene, 1r-1-isocyanatoethyl,isocyanic acid r-+-1-phenylethyl ester,isocyanic acid r-+-alpha-methylbenzyl ester,isocyanic acid-r-+-methylbenzyl ester,1-isocyanatoethyl benzene #,+-alpha-methylbenzyl isocyanate,pubchem8096 PubChem CID: 7018262 IUPAC Name: [(1R)-1-isocyanatoethyl]benzene SMILES: CC(C1=CC=CC=C1)N=C=O
PubChem CID | 7018262 |
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CAS | 33375-06-3 |
Molecular Weight (g/mol) | 147.177 |
MDL Number | MFCD00063015 |
SMILES | CC(C1=CC=CC=C1)N=C=O |
Synonym | r-+-1-phenylethyl isocyanate,1r-1-isocyanatoethyl benzene,r-+-alpha-methylbenzyl isocyanate,benzene, 1r-1-isocyanatoethyl,isocyanic acid r-+-1-phenylethyl ester,isocyanic acid r-+-alpha-methylbenzyl ester,isocyanic acid-r-+-methylbenzyl ester,1-isocyanatoethyl benzene #,+-alpha-methylbenzyl isocyanate,pubchem8096 |
IUPAC Name | [(1R)-1-isocyanatoethyl]benzene |
InChI Key | JJSCUXAFAJEQGB-MRVPVSSYSA-N |
Molecular Formula | C9H9NO |
Benzyl isocyanate, 99+%, Thermo Scientific Chemicals
CAS: 3173-56-6 Molecular Formula: C8H7NO Molecular Weight (g/mol): 133.15 MDL Number: MFCD00009701 InChI Key: YDNLNVZZTACNJX-UHFFFAOYSA-N Synonym: benzyl isocyanate,isocyanatomethyl benzene,benzylisocyanate,isocyanic acid benzyl ester,benzene, isocyanatomethyl,1-isocyanatomethyl benzene,phenylmethyl isocyanate,unii-8i2li357gq,phenylmethanisocyanate PubChem CID: 76639 IUPAC Name: isocyanatomethylbenzene SMILES: O=C=NCC1=CC=CC=C1
PubChem CID | 76639 |
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CAS | 3173-56-6 |
Molecular Weight (g/mol) | 133.15 |
MDL Number | MFCD00009701 |
SMILES | O=C=NCC1=CC=CC=C1 |
Synonym | benzyl isocyanate,isocyanatomethyl benzene,benzylisocyanate,isocyanic acid benzyl ester,benzene, isocyanatomethyl,1-isocyanatomethyl benzene,phenylmethyl isocyanate,unii-8i2li357gq,phenylmethanisocyanate |
IUPAC Name | isocyanatomethylbenzene |
InChI Key | YDNLNVZZTACNJX-UHFFFAOYSA-N |
Molecular Formula | C8H7NO |