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.

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1 – 15 of 205 results

(+/-)-2-Chloropropionic acid, 94%

CAS: 598-78-7 Molecular Formula: C3H5ClO2 Molecular Weight (g/mol): 108.52 MDL Number: MFCD00004224 InChI Key: GAWAYYRQGQZKCR-UHFFFAOYNA-N Synonym: 2-chloropropionic acid,propanoic acid, 2-chloro,propionic acid, 2-chloro,alpha-chloropropionic acid,alpha-monochloropropionic acid,propionic acid, alpha-chloro,.alpha.-chloropropionic acid,propionic acid, .alpha.-chloro,chloropropionic acid,propanoic acid, chloro PubChem CID: 11734 IUPAC Name: 2-chloropropanoic acid SMILES: CC(Cl)C(O)=O

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Specifications

PubChem CID	11734
CAS	598-78-7
Molecular Weight (g/mol)	108.52
MDL Number	MFCD00004224
SMILES	CC(Cl)C(O)=O
Synonym	2-chloropropionic acid,propanoic acid, 2-chloro,propionic acid, 2-chloro,alpha-chloropropionic acid,alpha-monochloropropionic acid,propionic acid, alpha-chloro,.alpha.-chloropropionic acid,propionic acid, .alpha.-chloro,chloropropionic acid,propanoic acid, chloro
IUPAC Name	2-chloropropanoic acid
InChI Key	GAWAYYRQGQZKCR-UHFFFAOYNA-N
Molecular Formula	C3H5ClO2

2-Fluoroisobutyric acid, 95%

CAS: 63812-15-7 Molecular Formula: C4H7FO2 Molecular Weight (g/mol): 106.096 MDL Number: MFCD03452788 InChI Key: NZDOWZQRNZLBOY-UHFFFAOYSA-N Synonym: 2-fluoroisobutyric acid,2-fluoroisobutanoic acid,2-fluoro-2-methyl-propanoic acid,2-fluoro-2-methylpropionic acid,fluoroisobutyric acid,acmc-1b6kg,2-methyl-2-fluoropropionic acid,2-fluoro-2-methyl-propionic acid,2-fluoranyl-2-methyl-propanoic acid,propanoic acid, 2-fluoro-2-methyl PubChem CID: 2782828 IUPAC Name: 2-fluoro-2-methylpropanoic acid SMILES: CC(C)(C(=O)O)F

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Specifications

PubChem CID	2782828
CAS	63812-15-7
Molecular Weight (g/mol)	106.096
MDL Number	MFCD03452788
SMILES	CC(C)(C(=O)O)F
Synonym	2-fluoroisobutyric acid,2-fluoroisobutanoic acid,2-fluoro-2-methyl-propanoic acid,2-fluoro-2-methylpropionic acid,fluoroisobutyric acid,acmc-1b6kg,2-methyl-2-fluoropropionic acid,2-fluoro-2-methyl-propionic acid,2-fluoranyl-2-methyl-propanoic acid,propanoic acid, 2-fluoro-2-methyl
IUPAC Name	2-fluoro-2-methylpropanoic acid
InChI Key	NZDOWZQRNZLBOY-UHFFFAOYSA-N
Molecular Formula	C4H7FO2

alpha,alpha-Difluorophenylacetic acid, 97%

CAS: 360-03-2 Molecular Formula: C8H6F2O2 Molecular Weight (g/mol): 172.131 MDL Number: MFCD00498146 InChI Key: PFKSLFZFBCIJOI-UHFFFAOYSA-N PubChem CID: 726153 IUPAC Name: 2,2-difluoro-2-phenylacetic acid SMILES: C1=CC=C(C=C1)C(C(=O)O)(F)F

Pricing and Availability
Specifications

PubChem CID	726153
CAS	360-03-2
Molecular Weight (g/mol)	172.131
MDL Number	MFCD00498146
SMILES	C1=CC=C(C=C1)C(C(=O)O)(F)F
IUPAC Name	2,2-difluoro-2-phenylacetic acid
InChI Key	PFKSLFZFBCIJOI-UHFFFAOYSA-N
Molecular Formula	C8H6F2O2

chloroacetic anhydride, 97%

CAS: 541-88-8 Molecular Formula: C4H4Cl2O3 Molecular Weight (g/mol): 170.97 MDL Number: MFCD00000929 InChI Key: PNVPNXKRAUBJGW-UHFFFAOYSA-N Synonym: chloroacetic anhydride,chloracetic anhydride,monochloroacetic acid anhydride,2-chloroacetic anhydride,chloroacetic acid anhydride,chloroacetyl anhydride,acetic acid, chloro-, anhydride,unii-8q7txh7r5f,monochloroacetic anhydride,8q7txh7r5f PubChem CID: 10946 IUPAC Name: (2-chloroacetyl) 2-chloroacetate SMILES: ClCC(=O)OC(=O)CCl

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Specifications

PubChem CID	10946
CAS	541-88-8
Molecular Weight (g/mol)	170.97
MDL Number	MFCD00000929
SMILES	ClCC(=O)OC(=O)CCl
Synonym	chloroacetic anhydride,chloracetic anhydride,monochloroacetic acid anhydride,2-chloroacetic anhydride,chloroacetic acid anhydride,chloroacetyl anhydride,acetic acid, chloro-, anhydride,unii-8q7txh7r5f,monochloroacetic anhydride,8q7txh7r5f
IUPAC Name	(2-chloroacetyl) 2-chloroacetate
InChI Key	PNVPNXKRAUBJGW-UHFFFAOYSA-N
Molecular Formula	C4H4Cl2O3

Ethyl 2-fluoroisobutyrate, 97%, Thermo Scientific Chemicals

CAS: 55816-69-8 Molecular Formula: C6H11FO2 Molecular Weight (g/mol): 134.15 MDL Number: MFCD08062432 InChI Key: CJRQQJKWNULSFQ-UHFFFAOYSA-N Synonym: ethyl 2-fluoroisobutyrate,propanoic acid, 2-fluoro-2-methyl-, ethyl ester,ethyl 2-fluoro-isobutyrate,ethyl 2-fluoro-2-methylpropionate,2-fluoro-2-methylpropionic acid ethyl ester PubChem CID: 10898763 IUPAC Name: ethyl 2-fluoro-2-methylpropanoate SMILES: CCOC(=O)C(C)(C)F

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Specifications

PubChem CID	10898763
CAS	55816-69-8
Molecular Weight (g/mol)	134.15
MDL Number	MFCD08062432
SMILES	CCOC(=O)C(C)(C)F
Synonym	ethyl 2-fluoroisobutyrate,propanoic acid, 2-fluoro-2-methyl-, ethyl ester,ethyl 2-fluoro-isobutyrate,ethyl 2-fluoro-2-methylpropionate,2-fluoro-2-methylpropionic acid ethyl ester
IUPAC Name	ethyl 2-fluoro-2-methylpropanoate
InChI Key	CJRQQJKWNULSFQ-UHFFFAOYSA-N
Molecular Formula	C6H11FO2

Sodium dichloroacetate, 96%

CAS: 2156-56-1 Molecular Formula: C2HCl2NaO2 Molecular Weight (g/mol): 150.92 MDL Number: MFCD00070489 InChI Key: LUPNKHXLFSSUGS-UHFFFAOYSA-M Synonym: sodium dichloroacetate,sodium 2,2-dichloroacetate,dichloroacetic acid sodium salt,acetic acid, dichloro-, sodium salt,ceresine,dichloroacetate sodium,dichloroctan sodny czech,sodium dichloroacetate usan,ccris 7697,dichloroacetic acid, sodium salt PubChem CID: 517326 IUPAC Name: sodium;2,2-dichloroacetate SMILES: [Na+].[O-]C(=O)C(Cl)Cl

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Specifications

PubChem CID	517326
CAS	2156-56-1
Molecular Weight (g/mol)	150.92
MDL Number	MFCD00070489
SMILES	[Na+].[O-]C(=O)C(Cl)Cl
Synonym	sodium dichloroacetate,sodium 2,2-dichloroacetate,dichloroacetic acid sodium salt,acetic acid, dichloro-, sodium salt,ceresine,dichloroacetate sodium,dichloroctan sodny czech,sodium dichloroacetate usan,ccris 7697,dichloroacetic acid, sodium salt
IUPAC Name	sodium;2,2-dichloroacetate
InChI Key	LUPNKHXLFSSUGS-UHFFFAOYSA-M
Molecular Formula	C2HCl2NaO2

Diethyl dibromomalonate, 96%

CAS: 631-22-1 Molecular Formula: C7H10Br2O4 Molecular Weight (g/mol): 317.96 MDL Number: MFCD00015154 InChI Key: PFZYFZRUPFUEOB-UHFFFAOYSA-N PubChem CID: 69427 IUPAC Name: diethyl 2,2-dibromopropanedioate SMILES: CCOC(=O)C(Br)(Br)C(=O)OCC

Pricing and Availability
Specifications

PubChem CID	69427
CAS	631-22-1
Molecular Weight (g/mol)	317.96
MDL Number	MFCD00015154
SMILES	CCOC(=O)C(Br)(Br)C(=O)OCC
IUPAC Name	diethyl 2,2-dibromopropanedioate
InChI Key	PFZYFZRUPFUEOB-UHFFFAOYSA-N
Molecular Formula	C7H10Br2O4

Ethyl chlorodifluoroacetate, 98%

CAS: 383-62-0 Molecular Formula: C4H5ClF2O2 Molecular Weight (g/mol): 158.529 MDL Number: MFCD00013662 InChI Key: GVCAWQUJCHZRCB-UHFFFAOYSA-N Synonym: ethyl chlorodifluoroacetate,chlorodifluoroacetic acid ethyl ester,ethyl chlorodifluoroethanoate,acetic acid, chlorodifluoro-, ethyl ester,ethylchlorodifluoroacetate,acetic acid, 2-chloro-2,2-difluoro-, ethyl ester,ethyl 2-chloro-2,2-difluoro-acetate,pubchem12573,ethyl chlordifluoroacetate,acmc-1cr8n PubChem CID: 67843 IUPAC Name: ethyl 2-chloro-2,2-difluoroacetate SMILES: CCOC(=O)C(F)(F)Cl

Pricing and Availability
Specifications

PubChem CID	67843
CAS	383-62-0
Molecular Weight (g/mol)	158.529
MDL Number	MFCD00013662
SMILES	CCOC(=O)C(F)(F)Cl
Synonym	ethyl chlorodifluoroacetate,chlorodifluoroacetic acid ethyl ester,ethyl chlorodifluoroethanoate,acetic acid, chlorodifluoro-, ethyl ester,ethylchlorodifluoroacetate,acetic acid, 2-chloro-2,2-difluoro-, ethyl ester,ethyl 2-chloro-2,2-difluoro-acetate,pubchem12573,ethyl chlordifluoroacetate,acmc-1cr8n
IUPAC Name	ethyl 2-chloro-2,2-difluoroacetate
InChI Key	GVCAWQUJCHZRCB-UHFFFAOYSA-N
Molecular Formula	C4H5ClF2O2

Ethyl oxalyl chloride, 98%

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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Specifications

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

Isopropyl bromoacetate, 97%

CAS: 29921-57-1 Molecular Formula: C₅H₉BrO₂ Molecular Weight (g/mol): 181.03 MDL Number: MFCD00009886 InChI Key: JCWLEWKPXYZHGQ-UHFFFAOYSA-N Synonym: isopropyl bromoacetate,acetic acid, bromo-, 1-methylethyl ester,acetic acid, 2-bromo-, 1-methylethyl ester,isopropyl 2-bromoacetate,brch2c o och ch3 2,bromoacetic acid isopropyl ester,i-propyl bromoacetate,acmc-1ciu8,isopropyl .alpha.-bromoacetate PubChem CID: 121593 IUPAC Name: propan-2-yl 2-bromoacetate SMILES: CC(C)OC(=O)CBr

Pricing and Availability
Specifications

PubChem CID	121593
CAS	29921-57-1
Molecular Weight (g/mol)	181.03
MDL Number	MFCD00009886
SMILES	CC(C)OC(=O)CBr
Synonym	isopropyl bromoacetate,acetic acid, bromo-, 1-methylethyl ester,acetic acid, 2-bromo-, 1-methylethyl ester,isopropyl 2-bromoacetate,brch2c o och ch3 2,bromoacetic acid isopropyl ester,i-propyl bromoacetate,acmc-1ciu8,isopropyl .alpha.-bromoacetate
IUPAC Name	propan-2-yl 2-bromoacetate
InChI Key	JCWLEWKPXYZHGQ-UHFFFAOYSA-N
Molecular Formula	C₅H₉BrO₂

Ethyl alpha-bromophenylacetate, 97%

CAS: 2882-19-1 Molecular Formula: C10H11BrO2 Molecular Weight (g/mol): 243.10 MDL Number: MFCD00013536 InChI Key: BKTKLDMYHTUESO-UHFFFAOYNA-N Synonym: ethyl alpha-bromophenylacetate,ethyl bromophenylacetate,ethyl bromo phenyl acetate,ethyl-alpha-bromophenyl acetate,ethyl-.alpha.-bromophenyl acetate,benzeneacetic acid, .alpha.-bromo-, ethyl ester,bromo-phenyl-acetic acid ethyl ester,benzeneacetic acid, alpha-bromo-, ethyl ester,eyr&vo2,ethylbromo phenyl acetate PubChem CID: 97780 IUPAC Name: ethyl 2-bromo-2-phenylacetate SMILES: CCOC(=O)C(Br)C1=CC=CC=C1

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Specifications

PubChem CID	97780
CAS	2882-19-1
Molecular Weight (g/mol)	243.10
MDL Number	MFCD00013536
SMILES	CCOC(=O)C(Br)C1=CC=CC=C1
Synonym	ethyl alpha-bromophenylacetate,ethyl bromophenylacetate,ethyl bromo phenyl acetate,ethyl-alpha-bromophenyl acetate,ethyl-.alpha.-bromophenyl acetate,benzeneacetic acid, .alpha.-bromo-, ethyl ester,bromo-phenyl-acetic acid ethyl ester,benzeneacetic acid, alpha-bromo-, ethyl ester,eyr&vo2,ethylbromo phenyl acetate
IUPAC Name	ethyl 2-bromo-2-phenylacetate
InChI Key	BKTKLDMYHTUESO-UHFFFAOYNA-N
Molecular Formula	C10H11BrO2

Sodium trichloroacetate, 97%

CAS: 650-51-1 Molecular Formula: C2Cl3NaO2 Molecular Weight (g/mol): 185.36 MDL Number: MFCD00064198 InChI Key: SAQSTQBVENFSKT-UHFFFAOYSA-M Synonym: sodium trichloroacetate,tca-sodium,trichloroacetic acid sodium salt,antiperz,antyperz,tca sodium,acp grass killer,sodium tca,varitox,stca PubChem CID: 23681045 ChEBI: CHEBI:81976 IUPAC Name: sodium;2,2,2-trichloroacetate SMILES: C(=O)(C(Cl)(Cl)Cl)[O-].[Na+]

Pricing and Availability
Specifications

PubChem CID	23681045
CAS	650-51-1
Molecular Weight (g/mol)	185.36
ChEBI	CHEBI:81976
MDL Number	MFCD00064198
SMILES	C(=O)(C(Cl)(Cl)Cl)[O-].[Na+]
Synonym	sodium trichloroacetate,tca-sodium,trichloroacetic acid sodium salt,antiperz,antyperz,tca sodium,acp grass killer,sodium tca,varitox,stca
IUPAC Name	sodium;2,2,2-trichloroacetate
InChI Key	SAQSTQBVENFSKT-UHFFFAOYSA-M
Molecular Formula	C2Cl3NaO2

Bromoacetic acid, 98+%

CAS: 79-08-3 Molecular Formula: C₂H₃BrO₂ Molecular Weight (g/mol): 138.95 MDL Number: MFCD00002678 InChI Key: KDPAWGWELVVRCH-UHFFFAOYSA-N Synonym: bromoacetic acid,monobromoacetic acid,bromoethanoic acid,acetic acid, bromo,to ntu,bromoacetate ion,acide bromacetique,2-bromoacetyl group,2-bromoethanoic acid,acetic acid, 2-bromo PubChem CID: 6227 IUPAC Name: 2-bromoacetic acid SMILES: C(C(=O)O)Br

Pricing and Availability
Specifications

PubChem CID	6227
CAS	79-08-3
Molecular Weight (g/mol)	138.95
MDL Number	MFCD00002678
SMILES	C(C(=O)O)Br
Synonym	bromoacetic acid,monobromoacetic acid,bromoethanoic acid,acetic acid, bromo,to ntu,bromoacetate ion,acide bromacetique,2-bromoacetyl group,2-bromoethanoic acid,acetic acid, 2-bromo
IUPAC Name	2-bromoacetic acid
InChI Key	KDPAWGWELVVRCH-UHFFFAOYSA-N
Molecular Formula	C₂H₃BrO₂

Ethyl trifluoroacetate, 99%

CAS: 383-63-1 Molecular Formula: C4H5F3O2 Molecular Weight (g/mol): 142.077 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

Pricing and Availability
Specifications

PubChem CID	9794
CAS	383-63-1
Molecular Weight (g/mol)	142.077
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

Ethyl 2-bromo-4,4,4-trifluorobutyrate, 97%

CAS: 367-33-9 Molecular Formula: C6H8BrF3O2 Molecular Weight (g/mol): 249.027 MDL Number: MFCD10687235 InChI Key: POVYUFTVLGOXEE-UHFFFAOYSA-N Synonym: 2-bromo-4,4,4-trifluorobutyric acid ethyl ester,ethyl 2-bromo-4,4,4-trifluorobutyrate,ethyl 2-bromo-4,4,4-trifluoro-butanoate,butanoic acid,2-bromo-4,4,4-trifluoro-, ethyl ester PubChem CID: 45594306 IUPAC Name: ethyl 2-bromo-4,4,4-trifluorobutanoate SMILES: CCOC(=O)C(CC(F)(F)F)Br

Pricing and Availability
Specifications

PubChem CID	45594306
CAS	367-33-9
Molecular Weight (g/mol)	249.027
MDL Number	MFCD10687235
SMILES	CCOC(=O)C(CC(F)(F)F)Br
Synonym	2-bromo-4,4,4-trifluorobutyric acid ethyl ester,ethyl 2-bromo-4,4,4-trifluorobutyrate,ethyl 2-bromo-4,4,4-trifluoro-butanoate,butanoic acid,2-bromo-4,4,4-trifluoro-, ethyl ester
IUPAC Name	ethyl 2-bromo-4,4,4-trifluorobutanoate
InChI Key	POVYUFTVLGOXEE-UHFFFAOYSA-N
Molecular Formula	C6H8BrF3O2

Alpha-halocarboxylic acids and derivatives

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