Alpha-halocarboxylic acids and derivatives

Organic compounds that contain a carboxyl group bonded to a halogen group in the alpha position; halogen groups consist of one or more halogen atoms (F, Cl, B, I, At). Includes compounds that are derived from alpha-halocarboxylic acids.

1 – 15 of 141 results

Dichloroacetic acid, 99+%, Thermo Scientific Chemicals

CAS: 79-43-6 Molecular Formula: C₂H₂Cl₂O₂ Molecular Weight (g/mol): 128.94 MDL Number: MFCD00004223 InChI Key: JXTHNDFMNIQAHM-UHFFFAOYSA-N Synonym: dichloroacetic acid,dichloracetic acid,dichloroethanoic acid,acetic acid, dichloro,urner's liquid,dichlorethanoic acid,bichloracetic acid,dca acid,bichloroacetic acid,dichloro-acetic acid PubChem CID: 6597 ChEBI: CHEBI:36386 IUPAC Name: 2,2-dichloroacetic acid SMILES: C(C(=O)O)(Cl)Cl

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PubChem CID	6597
CAS	79-43-6
Molecular Weight (g/mol)	128.94
ChEBI	CHEBI:36386
MDL Number	MFCD00004223
SMILES	C(C(=O)O)(Cl)Cl
Synonym	dichloroacetic acid,dichloracetic acid,dichloroethanoic acid,acetic acid, dichloro,urner's liquid,dichlorethanoic acid,bichloracetic acid,dca acid,bichloroacetic acid,dichloro-acetic acid
IUPAC Name	2,2-dichloroacetic acid
InChI Key	JXTHNDFMNIQAHM-UHFFFAOYSA-N
Molecular Formula	C₂H₂Cl₂O₂

Trifluoroacetic anhydride, 99+%, Thermo Scientific Chemicals

CAS: 407-25-0 Molecular Formula: C4F6O3 Molecular Weight (g/mol): 210.03 MDL Number: MFCD00000416 InChI Key: QAEDZJGFFMLHHQ-UHFFFAOYSA-N Synonym: trifluoroacetic anhydride,trifluoroacetic acid anhydride,2,2,2-trifluoroacetic anhydride,bis trifluoroacetic anhydride,acetic acid, trifluoro-, anhydride,perfluoroacetic anhydride,trifluoroacetyl anhydride,tfaa,hexafluoroacetic anhydride,anhydrid kyseliny trifluoroctove PubChem CID: 9845 SMILES: FC(F)(F)C(=O)OC(=O)C(F)(F)F

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PubChem CID	9845
CAS	407-25-0
Molecular Weight (g/mol)	210.03
MDL Number	MFCD00000416
SMILES	FC(F)(F)C(=O)OC(=O)C(F)(F)F
Synonym	trifluoroacetic anhydride,trifluoroacetic acid anhydride,2,2,2-trifluoroacetic anhydride,bis trifluoroacetic anhydride,acetic acid, trifluoro-, anhydride,perfluoroacetic anhydride,trifluoroacetyl anhydride,tfaa,hexafluoroacetic anhydride,anhydrid kyseliny trifluoroctove
InChI Key	QAEDZJGFFMLHHQ-UHFFFAOYSA-N
Molecular Formula	C4F6O3

Ethyl chloroacetate, 99%, Thermo Scientific Chemicals

CAS: 105-39-5 Molecular Formula: C4H7ClO2 Molecular Weight (g/mol): 122.548 MDL Number: MFCD00000932 InChI Key: VEUUMBGHMNQHGO-UHFFFAOYSA-N Synonym: ethyl chloroacetate,ethyl chloracetate,ethyl monochloroacetate,acetic acid, chloro-, ethyl ester,chloroacetic acid ethyl ester,ethyl monochloracetate,ethyl chloroethanoate,ethyl alpha-chloroacetate,2-chloroacetic acid ethyl ester,unii-6h07teh4tf PubChem CID: 7751 IUPAC Name: ethyl 2-chloroacetate SMILES: CCOC(=O)CCl

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PubChem CID	7751
CAS	105-39-5
Molecular Weight (g/mol)	122.548
MDL Number	MFCD00000932
SMILES	CCOC(=O)CCl
Synonym	ethyl chloroacetate,ethyl chloracetate,ethyl monochloroacetate,acetic acid, chloro-, ethyl ester,chloroacetic acid ethyl ester,ethyl monochloracetate,ethyl chloroethanoate,ethyl alpha-chloroacetate,2-chloroacetic acid ethyl ester,unii-6h07teh4tf
IUPAC Name	ethyl 2-chloroacetate
InChI Key	VEUUMBGHMNQHGO-UHFFFAOYSA-N
Molecular Formula	C4H7ClO2

Chloroacetic acid, 99%, Thermo Scientific Chemicals

CAS: 79-11-8 Molecular Formula: C2H3ClO2 Molecular Weight (g/mol): 94.494 MDL Number: MFCD00002683 InChI Key: FOCAUTSVDIKZOP-UHFFFAOYSA-N Synonym: chloroacetic acid,monochloroacetic acid,chloracetic acid,acetic acid, chloro,acide chloracetique,chloroethanoic acid,monochloroethanoic acid,monochloracetic acid,monochloorazijnzuur,monochloressigsaeure PubChem CID: 300 ChEBI: CHEBI:27869 IUPAC Name: 2-chloroacetic acid SMILES: C(C(=O)O)Cl

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PubChem CID	300
CAS	79-11-8
Molecular Weight (g/mol)	94.494
ChEBI	CHEBI:27869
MDL Number	MFCD00002683
SMILES	C(C(=O)O)Cl
Synonym	chloroacetic acid,monochloroacetic acid,chloracetic acid,acetic acid, chloro,acide chloracetique,chloroethanoic acid,monochloroethanoic acid,monochloracetic acid,monochloorazijnzuur,monochloressigsaeure
IUPAC Name	2-chloroacetic acid
InChI Key	FOCAUTSVDIKZOP-UHFFFAOYSA-N
Molecular Formula	C2H3ClO2

Chloroacetic acid, 99+%, Thermo Scientific Chemicals

CAS: 79-11-8 Molecular Formula: C₂H₃ClO₂ Molecular Weight (g/mol): 94.5 MDL Number: MFCD00002683 InChI Key: FOCAUTSVDIKZOP-UHFFFAOYSA-N Synonym: chloroacetic acid,monochloroacetic acid,chloracetic acid,acetic acid, chloro,acide chloracetique,chloroethanoic acid,monochloroethanoic acid,monochloracetic acid,monochloorazijnzuur,monochloressigsaeure PubChem CID: 300 ChEBI: CHEBI:27869 IUPAC Name: 2-chloroacetic acid SMILES: C(C(=O)O)Cl

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PubChem CID	300
CAS	79-11-8
Molecular Weight (g/mol)	94.5
ChEBI	CHEBI:27869
MDL Number	MFCD00002683
SMILES	C(C(=O)O)Cl
Synonym	chloroacetic acid,monochloroacetic acid,chloracetic acid,acetic acid, chloro,acide chloracetique,chloroethanoic acid,monochloroethanoic acid,monochloracetic acid,monochloorazijnzuur,monochloressigsaeure
IUPAC Name	2-chloroacetic acid
InChI Key	FOCAUTSVDIKZOP-UHFFFAOYSA-N
Molecular Formula	C₂H₃ClO₂

Sodium chloroacetate, 98%, Thermo Scientific Chemicals

CAS: 3926-62-3 Molecular Formula: C2H2ClNaO2 Molecular Weight (g/mol): 116.476 MDL Number: MFCD00002684 InChI Key: FDRCDNZGSXJAFP-UHFFFAOYSA-M Synonym: sodium chloroacetate,chloroacetic acid sodium salt,monoxone,acetic acid, chloro-, sodium salt,dow defoliant,sodium monochloroacetate,smca,sodium monochloracetate,caswell no. 755a,chloroctan sodny czech PubChem CID: 23665759 IUPAC Name: sodium;2-chloroacetate SMILES: C(C(=O)[O-])Cl.[Na+]

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PubChem CID	23665759
CAS	3926-62-3
Molecular Weight (g/mol)	116.476
MDL Number	MFCD00002684
SMILES	C(C(=O)[O-])Cl.[Na+]
Synonym	sodium chloroacetate,chloroacetic acid sodium salt,monoxone,acetic acid, chloro-, sodium salt,dow defoliant,sodium monochloroacetate,smca,sodium monochloracetate,caswell no. 755a,chloroctan sodny czech
IUPAC Name	sodium;2-chloroacetate
InChI Key	FDRCDNZGSXJAFP-UHFFFAOYSA-M
Molecular Formula	C2H2ClNaO2

Difluoroacetic acid, 98%, Thermo Scientific Chemicals

CAS: 381-73-7 Molecular Formula: C₂H₂F₂O₂ Molecular Weight (g/mol): 96.03 MDL Number: MFCD00004220 InChI Key: PBWZKZYHONABLN-UHFFFAOYSA-N Synonym: difluoroacetic acid,acetic acid, difluoro,difluoressigsaeure,1,1-difluoroacetic acid,unii-zqk1c95k3n,zqk1c95k3n,acetic acid, 2,2-difluoro,difluoroaceticacid,difluoracetic acid,difluoro-acetic acid PubChem CID: 9788 ChEBI: CHEBI:23716 IUPAC Name: 2,2-difluoroacetic acid SMILES: C(C(=O)O)(F)F

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PubChem CID	9788
CAS	381-73-7
Molecular Weight (g/mol)	96.03
ChEBI	CHEBI:23716
MDL Number	MFCD00004220
SMILES	C(C(=O)O)(F)F
Synonym	difluoroacetic acid,acetic acid, difluoro,difluoressigsaeure,1,1-difluoroacetic acid,unii-zqk1c95k3n,zqk1c95k3n,acetic acid, 2,2-difluoro,difluoroaceticacid,difluoracetic acid,difluoro-acetic acid
IUPAC Name	2,2-difluoroacetic acid
InChI Key	PBWZKZYHONABLN-UHFFFAOYSA-N
Molecular Formula	C₂H₂F₂O₂

Sodium trifluoroacetate, 98%, Thermo Scientific Chemicals

CAS: 2923-18-4 Molecular Formula: C2F3NaO2 Molecular Weight (g/mol): 136.01 MDL Number: MFCD00013217 InChI Key: UYCAUPASBSROMS-UHFFFAOYSA-M Synonym: sodium trifluoroacetate,trifluoroacetic acid sodium salt,acetic acid, trifluoro-, sodium salt,sodium perfluoroacetate,trifluoroacetate sodium,sodium 2,2,2-trifluoroacetate,trifluoroacetic acid sodium,trifluoroacetic acid,sodium salt,acetic acid, 2,2,2-trifluoro-, sodium salt 1:1,trifluoroacetic acid, sodium salt PubChem CID: 517019 SMILES: [Na+].[O-]C(=O)C(F)(F)F

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PubChem CID	517019
CAS	2923-18-4
Molecular Weight (g/mol)	136.01
MDL Number	MFCD00013217
SMILES	[Na+].[O-]C(=O)C(F)(F)F
Synonym	sodium trifluoroacetate,trifluoroacetic acid sodium salt,acetic acid, trifluoro-, sodium salt,sodium perfluoroacetate,trifluoroacetate sodium,sodium 2,2,2-trifluoroacetate,trifluoroacetic acid sodium,trifluoroacetic acid,sodium salt,acetic acid, 2,2,2-trifluoro-, sodium salt 1:1,trifluoroacetic acid, sodium salt
InChI Key	UYCAUPASBSROMS-UHFFFAOYSA-M
Molecular Formula	C2F3NaO2

Iodoacetic acid, sodium salt, 99%, Thermo Scientific Chemicals

CAS: 305-53-3 Molecular Formula: C₂H₂INaO₂ Molecular Weight (g/mol): 207.93 MDL Number: MFCD00002686 InChI Key: AGDSCTQQXMDDCV-UHFFFAOYSA-M Synonym: sodium iodoacetate,iodoacetic acid sodium salt,acetic acid, iodo-, sodium salt,sodium 2-iodoacetate,sodium monoiodoacetate,iodoacetate, sodium salt,sodium iodacetate,iodoacetic acid, sodium salt,unii-07814f2qri,ccris 9232 PubChem CID: 5239 IUPAC Name: sodium;2-iodoacetate SMILES: C(C(=O)[O-])I.[Na+]

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PubChem CID	5239
CAS	305-53-3
Molecular Weight (g/mol)	207.93
MDL Number	MFCD00002686
SMILES	C(C(=O)[O-])I.[Na+]
Synonym	sodium iodoacetate,iodoacetic acid sodium salt,acetic acid, iodo-, sodium salt,sodium 2-iodoacetate,sodium monoiodoacetate,iodoacetate, sodium salt,sodium iodacetate,iodoacetic acid, sodium salt,unii-07814f2qri,ccris 9232
IUPAC Name	sodium;2-iodoacetate
InChI Key	AGDSCTQQXMDDCV-UHFFFAOYSA-M
Molecular Formula	C₂H₂INaO₂

Ethyl oxalyl chloride, 98%, Thermo Scientific Chemicals

CAS: 4755-77-5 Molecular Formula: C₄H₅ClO₃ Molecular Weight (g/mol): 136.53 MDL Number: MFCD00000706 InChI Key: OWZFULPEVHKEKS-UHFFFAOYSA-N Synonym: ethyl chlorooxoacetate,ethyl oxalyl chloride,ethyl chloroglyoxylate,ethoxalyl chloride,ethyl oxalyl monochloride,acetic acid, chlorooxo-, ethyl ester,oxalic acid monoethyl ester chloride,monoethyl oxaloyl chloride,oxalyl chloride, ethyl ester,ethyl chlorocarbonyl formate PubChem CID: 20884 IUPAC Name: ethyl 2-chloro-2-oxoacetate SMILES: CCOC(=O)C(=O)Cl

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PubChem CID	20884
CAS	4755-77-5
Molecular Weight (g/mol)	136.53
MDL Number	MFCD00000706
SMILES	CCOC(=O)C(=O)Cl
Synonym	ethyl chlorooxoacetate,ethyl oxalyl chloride,ethyl chloroglyoxylate,ethoxalyl chloride,ethyl oxalyl monochloride,acetic acid, chlorooxo-, ethyl ester,oxalic acid monoethyl ester chloride,monoethyl oxaloyl chloride,oxalyl chloride, ethyl ester,ethyl chlorocarbonyl formate
IUPAC Name	ethyl 2-chloro-2-oxoacetate
InChI Key	OWZFULPEVHKEKS-UHFFFAOYSA-N
Molecular Formula	C₄H₅ClO₃

Ethyl trifluoroacetate, 99%, Thermo Scientific Chemicals

CAS: 383-63-1 Molecular Formula: C₄H₅F₃O₂ Molecular Weight (g/mol): 142.08 MDL Number: MFCD00000419 InChI Key: STSCVKRWJPWALQ-UHFFFAOYSA-N Synonym: ethyl trifluoroacetate,trifluoroacetic acid ethyl ester,ethyltrifluoroacetate,acetic acid, trifluoro-, ethyl ester,trifluoroacetic acid, ethyl ester,ethyl trifluoroethanoate,unii-a6tzk6x11x,acetic acid, 2,2,2-trifluoro-, ethyl ester,a6tzk6x11x,ethyl ester of trifluoroacetic acid PubChem CID: 9794 IUPAC Name: ethyl 2,2,2-trifluoroacetate SMILES: CCOC(=O)C(F)(F)F

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PubChem CID	9794
CAS	383-63-1
Molecular Weight (g/mol)	142.08
MDL Number	MFCD00000419
SMILES	CCOC(=O)C(F)(F)F
Synonym	ethyl trifluoroacetate,trifluoroacetic acid ethyl ester,ethyltrifluoroacetate,acetic acid, trifluoro-, ethyl ester,trifluoroacetic acid, ethyl ester,ethyl trifluoroethanoate,unii-a6tzk6x11x,acetic acid, 2,2,2-trifluoro-, ethyl ester,a6tzk6x11x,ethyl ester of trifluoroacetic acid
IUPAC Name	ethyl 2,2,2-trifluoroacetate
InChI Key	STSCVKRWJPWALQ-UHFFFAOYSA-N
Molecular Formula	C₄H₅F₃O₂

Diethyl chloromalonate, 90%, Thermo Scientific Chemicals

CAS: 14064-10-9 Molecular Formula: C₇H₁₁ClO₄ Molecular Weight (g/mol): 194.61 InChI Key: WLWCQKMQYZFTDR-UHFFFAOYSA-N Synonym: diethyl chloromalonate,diethyl 2-chloromalonate,ethyl chloromalonate,ethylmonochloromalonate,propanedioic acid, chloro-, diethyl ester,chloromalonic acid, diethyl ester,diethyl chloropropanedioate,malonic acid, chloro-, diethyl ester,1,3-diethyl 2-chloropropanedioate,propanedioic acid, 2-chloro-, 1,3-diethyl ester PubChem CID: 84182 IUPAC Name: diethyl 2-chloropropanedioate SMILES: CCOC(=O)C(C(=O)OCC)Cl

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PubChem CID	84182
CAS	14064-10-9
Molecular Weight (g/mol)	194.61
SMILES	CCOC(=O)C(C(=O)OCC)Cl
Synonym	diethyl chloromalonate,diethyl 2-chloromalonate,ethyl chloromalonate,ethylmonochloromalonate,propanedioic acid, chloro-, diethyl ester,chloromalonic acid, diethyl ester,diethyl chloropropanedioate,malonic acid, chloro-, diethyl ester,1,3-diethyl 2-chloropropanedioate,propanedioic acid, 2-chloro-, 1,3-diethyl ester
IUPAC Name	diethyl 2-chloropropanedioate
InChI Key	WLWCQKMQYZFTDR-UHFFFAOYSA-N
Molecular Formula	C₇H₁₁ClO₄

Benzyl 2-bromoacetate, 96%, Thermo Scientific Chemicals

CAS: 5437-45-6 Molecular Formula: C₉H₉BrO₂ Molecular Weight (g/mol): 229.08 MDL Number: MFCD00000190 InChI Key: JHVLLYQQQYIWKX-UHFFFAOYSA-N Synonym: benzyl bromoacetate,bromoacetic acid benzyl ester,acetic acid, bromo-, phenylmethyl ester,merbac 35,caswell no. 082a,acetic acid, bromo-, benzyl ester,unii-64u2rk18d3,phenylmethyl 2-bromoacetate,epa pesticide chemical code 008710,benzyl bromacetate PubChem CID: 62576 IUPAC Name: benzyl 2-bromoacetate SMILES: C1=CC=C(C=C1)COC(=O)CBr

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PubChem CID	62576
CAS	5437-45-6
Molecular Weight (g/mol)	229.08
MDL Number	MFCD00000190
SMILES	C1=CC=C(C=C1)COC(=O)CBr
Synonym	benzyl bromoacetate,bromoacetic acid benzyl ester,acetic acid, bromo-, phenylmethyl ester,merbac 35,caswell no. 082a,acetic acid, bromo-, benzyl ester,unii-64u2rk18d3,phenylmethyl 2-bromoacetate,epa pesticide chemical code 008710,benzyl bromacetate
IUPAC Name	benzyl 2-bromoacetate
InChI Key	JHVLLYQQQYIWKX-UHFFFAOYSA-N
Molecular Formula	C₉H₉BrO₂

tert-Butyl bromoacetate, 98%, Thermo Scientific Chemicals

CAS: 5292-43-3 Molecular Formula: C6H11BrO2 Molecular Weight (g/mol): 195.06 MDL Number: MFCD00000188 InChI Key: BNWCETAHAJSBFG-UHFFFAOYSA-N Synonym: tert-butyl bromoacetate,t-butyl bromoacetate,acetic acid, bromo-, 1,1-dimethylethyl ester,bromoacetic acid tert-butyl ester,tert-butylbromoacetate,acetic acid, bromo-, tert-butyl ester,brch2c o oc ch3 3,acetic acid, 2-bromo-, 1,1-dimethylethyl ester,bromo-acetic acid tert-butyl ester,tert-butylbromacetat PubChem CID: 79177 IUPAC Name: tert-butyl 2-bromoacetate SMILES: CC(C)(C)OC(=O)CBr

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PubChem CID	79177
CAS	5292-43-3
Molecular Weight (g/mol)	195.06
MDL Number	MFCD00000188
SMILES	CC(C)(C)OC(=O)CBr
Synonym	tert-butyl bromoacetate,t-butyl bromoacetate,acetic acid, bromo-, 1,1-dimethylethyl ester,bromoacetic acid tert-butyl ester,tert-butylbromoacetate,acetic acid, bromo-, tert-butyl ester,brch2c o oc ch3 3,acetic acid, 2-bromo-, 1,1-dimethylethyl ester,bromo-acetic acid tert-butyl ester,tert-butylbromacetat
IUPAC Name	tert-butyl 2-bromoacetate
InChI Key	BNWCETAHAJSBFG-UHFFFAOYSA-N
Molecular Formula	C6H11BrO2

Iodoacetic acid, 97+%, Thermo Scientific Chemicals

CAS: 64-69-7 Molecular Formula: C2H3IO2 Molecular Weight (g/mol): 185.948 MDL Number: MFCD00002685 InChI Key: JDNTWHVOXJZDSN-UHFFFAOYSA-N Synonym: iodoacetic acid,acetic acid, iodo,iodoacetate,monoiodoacetic acid,monoiodoacetate,monoiodine acetate,iodoaceticacid,iodoethanoic acid,acetic acid, 2-iodo,kyselina jodoctova PubChem CID: 5240 ChEBI: CHEBI:74571 IUPAC Name: 2-iodoacetic acid SMILES: C(C(=O)O)I

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PubChem CID	5240
CAS	64-69-7
Molecular Weight (g/mol)	185.948
ChEBI	CHEBI:74571
MDL Number	MFCD00002685
SMILES	C(C(=O)O)I
Synonym	iodoacetic acid,acetic acid, iodo,iodoacetate,monoiodoacetic acid,monoiodoacetate,monoiodine acetate,iodoaceticacid,iodoethanoic acid,acetic acid, 2-iodo,kyselina jodoctova
IUPAC Name	2-iodoacetic acid
InChI Key	JDNTWHVOXJZDSN-UHFFFAOYSA-N
Molecular Formula	C2H3IO2

Alpha-halocarboxylic acids and derivatives

Alpha-halocarboxylic acids and derivatives

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