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 523 results

Chloroacetic acid, ACS, 99%

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

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

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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

2-Fluoropropionic acid, 96%, Thermo Scientific Chemicals

CAS: 6087-13-4 Molecular Formula: C3H5FO2 Molecular Weight (g/mol): 92.069 MDL Number: MFCD06247714 InChI Key: ZVZPFTCEXIGSHM-UHFFFAOYSA-N Synonym: 2-fluoropropionic acid,2-fluoro-propionic acid,propanoic acid, 2-fluoro,pubchem13698,propanoic acid,2-fluoro,acmc-1b20x,ksc492i2p PubChem CID: 256876 IUPAC Name: 2-fluoropropanoic acid SMILES: CC(C(=O)O)F

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Specifications

PubChem CID	256876
CAS	6087-13-4
Molecular Weight (g/mol)	92.069
MDL Number	MFCD06247714
SMILES	CC(C(=O)O)F
Synonym	2-fluoropropionic acid,2-fluoro-propionic acid,propanoic acid, 2-fluoro,pubchem13698,propanoic acid,2-fluoro,acmc-1b20x,ksc492i2p
IUPAC Name	2-fluoropropanoic acid
InChI Key	ZVZPFTCEXIGSHM-UHFFFAOYSA-N
Molecular Formula	C3H5FO2

2-Chloro-2-ethoxyacetic acid ethyl ester, 90%, remainder mainly ethyl diethoxyacetat, Thermo Scientific Chemicals

CAS: 34006-60-5 Molecular Formula: C6H11ClO3 Molecular Weight (g/mol): 166.60 MDL Number: MFCD00043953 InChI Key: WDCHMODANTVRTF-UHFFFAOYNA-N Synonym: 2-chloro-2-ethoxyacetic acid ethyl ester,ethyl 2-chloro-2-ethoxy-acetate,ethyl2-chloro-2-ethoxyacetate,ethyl chloro ethoxy acetate,chloro ethoxy acetic acid ethyl ester,ethyl alpha-chloro-alpha-ethoxyacetate,ethyl alpha-chloro-alpha-ethoxy-acetate,2-chloro-2-ethoxy-acetic acid ethyl ester,acetic acid,2-chloro-2-ethoxy-, ethyl ester PubChem CID: 2724873 IUPAC Name: ethyl 2-(1-chloroethoxy)acetate SMILES: CCOC(=O)COC(C)Cl

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PubChem CID	2724873
CAS	34006-60-5
Molecular Weight (g/mol)	166.60
MDL Number	MFCD00043953
SMILES	CCOC(=O)COC(C)Cl
Synonym	2-chloro-2-ethoxyacetic acid ethyl ester,ethyl 2-chloro-2-ethoxy-acetate,ethyl2-chloro-2-ethoxyacetate,ethyl chloro ethoxy acetate,chloro ethoxy acetic acid ethyl ester,ethyl alpha-chloro-alpha-ethoxyacetate,ethyl alpha-chloro-alpha-ethoxy-acetate,2-chloro-2-ethoxy-acetic acid ethyl ester,acetic acid,2-chloro-2-ethoxy-, ethyl ester
IUPAC Name	ethyl 2-(1-chloroethoxy)acetate
InChI Key	WDCHMODANTVRTF-UHFFFAOYNA-N
Molecular Formula	C6H11ClO3

tert-Butyl 2-bromobutyrate, 98%

CAS: 24457-21-4 Molecular Formula: C8H15BrO2 Molecular Weight (g/mol): 223.11 MDL Number: MFCD00209634 InChI Key: RIUJWUWLGXBICR-UHFFFAOYSA-N Synonym: tert-butyl 2-bromobutyrate,tert-butyl2-bromobutanoate,t-butyl 2-bromobutyrate,2-bromobutyric acid tert-butyl ester,2-bromobutanoic acid tert-butyl ester,butanoic acid, 2-bromo-, 1,1-dimethylethyl ester,tertbutyl 2-bromobutyrate,tert-butyl-2-bromobutyrat,acmc-1cb0d,tert-butyl-2-bromobutyrate PubChem CID: 13124118 IUPAC Name: tert-butyl 2-bromobutanoate SMILES: CCC(C(=O)OC(C)(C)C)Br

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PubChem CID	13124118
CAS	24457-21-4
Molecular Weight (g/mol)	223.11
MDL Number	MFCD00209634
SMILES	CCC(C(=O)OC(C)(C)C)Br
Synonym	tert-butyl 2-bromobutyrate,tert-butyl2-bromobutanoate,t-butyl 2-bromobutyrate,2-bromobutyric acid tert-butyl ester,2-bromobutanoic acid tert-butyl ester,butanoic acid, 2-bromo-, 1,1-dimethylethyl ester,tertbutyl 2-bromobutyrate,tert-butyl-2-bromobutyrat,acmc-1cb0d,tert-butyl-2-bromobutyrate
IUPAC Name	tert-butyl 2-bromobutanoate
InChI Key	RIUJWUWLGXBICR-UHFFFAOYSA-N
Molecular Formula	C8H15BrO2

Ethyl difluoroacetate, 98%

CAS: 454-31-9 Molecular Formula: C4H6F2O2 Molecular Weight (g/mol): 124.087 MDL Number: MFCD00013578 InChI Key: GZKHDVAKKLTJPO-UHFFFAOYSA-N Synonym: ethyl difluoroacetate,acetic acid, difluoro-, ethyl ester,difluoroacetic acid ethyl ester,ethyldifluoroacetate,ethyl difluoroacetic,ethyl difluoro acetate,difluoro-acetic acid ethyl ester,ethyl difluoroacetic acid,acetic acid, 2,2-difluoro-, ethyl ester,ethyldifluoracetat PubChem CID: 9961 IUPAC Name: ethyl 2,2-difluoroacetate SMILES: CCOC(=O)C(F)F

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Specifications

PubChem CID	9961
CAS	454-31-9
Molecular Weight (g/mol)	124.087
MDL Number	MFCD00013578
SMILES	CCOC(=O)C(F)F
Synonym	ethyl difluoroacetate,acetic acid, difluoro-, ethyl ester,difluoroacetic acid ethyl ester,ethyldifluoroacetate,ethyl difluoroacetic,ethyl difluoro acetate,difluoro-acetic acid ethyl ester,ethyl difluoroacetic acid,acetic acid, 2,2-difluoro-, ethyl ester,ethyldifluoracetat
IUPAC Name	ethyl 2,2-difluoroacetate
InChI Key	GZKHDVAKKLTJPO-UHFFFAOYSA-N
Molecular Formula	C4H6F2O2

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

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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

Dimethyl bromomalonate, 90%, tech.

CAS: 868-26-8 Molecular Formula: C₅H₇BrO₄ Molecular Weight (g/mol): 211.02 MDL Number: MFCD00025865 InChI Key: NEMOJKROKMMQBQ-UHFFFAOYSA-N Synonym: dimethyl bromomalonate,dimethyl 2-bromomalonate,dimethylbromomalonate,propanedioic acid, bromo-, dimethyl ester,2-bromo dimethyl malonate,1,3-dimethyl 2-bromopropanedioate,dimethylbromomalo-nate,acmc-209qbk,dimethyl-2-bromomalonate,dimethyl 2-bromomalonate # PubChem CID: 70087 IUPAC Name: dimethyl 2-bromopropanedioate SMILES: COC(=O)C(C(=O)OC)Br

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Specifications

PubChem CID	70087
CAS	868-26-8
Molecular Weight (g/mol)	211.02
MDL Number	MFCD00025865
SMILES	COC(=O)C(C(=O)OC)Br
Synonym	dimethyl bromomalonate,dimethyl 2-bromomalonate,dimethylbromomalonate,propanedioic acid, bromo-, dimethyl ester,2-bromo dimethyl malonate,1,3-dimethyl 2-bromopropanedioate,dimethylbromomalo-nate,acmc-209qbk,dimethyl-2-bromomalonate,dimethyl 2-bromomalonate #
IUPAC Name	dimethyl 2-bromopropanedioate
InChI Key	NEMOJKROKMMQBQ-UHFFFAOYSA-N
Molecular Formula	C₅H₇BrO₄

DL-Ethyl 2-bromopropionate, 99%

CAS: 535-11-5 Molecular Formula: C5H9BrO2 Molecular Weight (g/mol): 181.03 MDL Number: MFCD00000144 InChI Key: ARFLASKVLJTEJD-UHFFFAOYNA-N Synonym: ethyl 2-bromopropionate,ethyl alpha-bromopropionate,ethyl-2-bromopropionate,2-bromopropanoic acid ethyl ester,propanoic acid, 2-bromo-, ethyl ester,alpha-bromopropionic acid ethyl ester,ethyl a-bromopropionate,dl-ethyl 2-bromopropionate,2-bromopropionic acid ethyl ester,ethyl alpha-bromopropanoate PubChem CID: 79040 IUPAC Name: ethyl 2-bromopropanoate SMILES: CCOC(=O)C(C)Br

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PubChem CID	79040
CAS	535-11-5
Molecular Weight (g/mol)	181.03
MDL Number	MFCD00000144
SMILES	CCOC(=O)C(C)Br
Synonym	ethyl 2-bromopropionate,ethyl alpha-bromopropionate,ethyl-2-bromopropionate,2-bromopropanoic acid ethyl ester,propanoic acid, 2-bromo-, ethyl ester,alpha-bromopropionic acid ethyl ester,ethyl a-bromopropionate,dl-ethyl 2-bromopropionate,2-bromopropionic acid ethyl ester,ethyl alpha-bromopropanoate
IUPAC Name	ethyl 2-bromopropanoate
InChI Key	ARFLASKVLJTEJD-UHFFFAOYNA-N
Molecular Formula	C5H9BrO2

Ethyl 2-bromoisobutyrate, 98%

CAS: 600-00-0 Molecular Formula: C6H11BrO2 Molecular Weight (g/mol): 195.06 MDL Number: MFCD00000123 InChI Key: IOLQWGVDEFWYNP-UHFFFAOYSA-N Synonym: ethyl 2-bromoisobutyrate,ethyl 2-bromo-2-methylpropionate,ethyl alpha-bromoisobutyrate,ethyl .alpha.-bromoisobutyrate,propanoic acid, 2-bromo-2-methyl-, ethyl ester,2-bromo-2-methylpropanoic acid, ethyl ester,ethyl-2-bromoisobutyrate,propanoic acid, bromo-2-methyl-, ethyl ester,ethyl 2-bromo-2-methyl-propanoate,propionic acid, 2-bromo-2-methyl-, ethyl ester PubChem CID: 11745 IUPAC Name: ethyl 2-bromo-2-methylpropanoate SMILES: CCOC(=O)C(C)(C)Br

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PubChem CID	11745
CAS	600-00-0
Molecular Weight (g/mol)	195.06
MDL Number	MFCD00000123
SMILES	CCOC(=O)C(C)(C)Br
Synonym	ethyl 2-bromoisobutyrate,ethyl 2-bromo-2-methylpropionate,ethyl alpha-bromoisobutyrate,ethyl .alpha.-bromoisobutyrate,propanoic acid, 2-bromo-2-methyl-, ethyl ester,2-bromo-2-methylpropanoic acid, ethyl ester,ethyl-2-bromoisobutyrate,propanoic acid, bromo-2-methyl-, ethyl ester,ethyl 2-bromo-2-methyl-propanoate,propionic acid, 2-bromo-2-methyl-, ethyl ester
IUPAC Name	ethyl 2-bromo-2-methylpropanoate
InChI Key	IOLQWGVDEFWYNP-UHFFFAOYSA-N
Molecular Formula	C6H11BrO2

Ethyl bromodifluoroacetate, 98%

CAS: 667-27-6 Molecular Formula: C₄H₅BrF₂O₂ Molecular Weight (g/mol): 202.99 MDL Number: MFCD00042069 InChI Key: IRSJDVYTJUCXRV-UHFFFAOYSA-N Synonym: ethyl bromodifluoroacetate,ethylbromodifluoroacetate,bromodifluoroacetic acid ethyl ester,acetic acid, bromodifluoro-, ethyl ester,ethyl difluorobromoacetate,ethyl 2-bromo-2,2-difluoro-acetate,2-bromo-2,2-difluoro-1-ethoxyethan-1-one,2-bromo-2,2-difluoro-1-ethoxy-1-oxoethane,ethylbrom difluor acetat,pubchem16953 PubChem CID: 69585 IUPAC Name: ethyl 2-bromo-2,2-difluoroacetate SMILES: CCOC(=O)C(F)(F)Br

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PubChem CID	69585
CAS	667-27-6
Molecular Weight (g/mol)	202.99
MDL Number	MFCD00042069
SMILES	CCOC(=O)C(F)(F)Br
Synonym	ethyl bromodifluoroacetate,ethylbromodifluoroacetate,bromodifluoroacetic acid ethyl ester,acetic acid, bromodifluoro-, ethyl ester,ethyl difluorobromoacetate,ethyl 2-bromo-2,2-difluoro-acetate,2-bromo-2,2-difluoro-1-ethoxyethan-1-one,2-bromo-2,2-difluoro-1-ethoxy-1-oxoethane,ethylbrom difluor acetat,pubchem16953
IUPAC Name	ethyl 2-bromo-2,2-difluoroacetate
InChI Key	IRSJDVYTJUCXRV-UHFFFAOYSA-N
Molecular Formula	C₄H₅BrF₂O₂

Ethyl fluoroacetate, 97%, Thermo Scientific Chemicals

CAS: 459-72-3 Molecular Formula: C₄H₇FO₂ Molecular Weight (g/mol): 106.1 MDL Number: MFCD00000450 InChI Key: VCYZVXRKYPKDQB-UHFFFAOYSA-N Synonym: ethyl fluoroacetate,ethyl monofluoroacetate,acetic acid, fluoro-, ethyl ester,fluoroacetic acid ethyl ester,unii-aus1l6um7b,ethylester kyseliny fluoroctove,monofluoroacetic acid ethyl ester,aus1l6um7b,ethylester kyseliny fluoroctove czech,acetic acid, 2-fluoro-, ethyl ester PubChem CID: 9988 IUPAC Name: ethyl 2-fluoroacetate SMILES: CCOC(=O)CF

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Specifications

PubChem CID	9988
CAS	459-72-3
Molecular Weight (g/mol)	106.1
MDL Number	MFCD00000450
SMILES	CCOC(=O)CF
Synonym	ethyl fluoroacetate,ethyl monofluoroacetate,acetic acid, fluoro-, ethyl ester,fluoroacetic acid ethyl ester,unii-aus1l6um7b,ethylester kyseliny fluoroctove,monofluoroacetic acid ethyl ester,aus1l6um7b,ethylester kyseliny fluoroctove czech,acetic acid, 2-fluoro-, ethyl ester
IUPAC Name	ethyl 2-fluoroacetate
InChI Key	VCYZVXRKYPKDQB-UHFFFAOYSA-N
Molecular Formula	C₄H₇FO₂

Ethyl iodoacetate, 98%, stabilized, Thermo Scientific Chemicals

CAS: 623-48-3 Molecular Formula: C4H7IO2 Molecular Weight (g/mol): 214.00 MDL Number: MFCD00001081 InChI Key: MFFXVVHUKRKXCI-UHFFFAOYSA-N Synonym: ethyl iodoacetate,acetic acid, iodo-, ethyl ester,ethyl monoiodoacetate,iodoacetic acid, ethyl ester,acetic acid, 2-iodo-, ethyl ester,ethylester kyseliny jodoctove czech,acetic acid, 2-iodo-,ethyl ester,ethylester kyseliny jodoctove,ethyliodoacetate,iodoacetic acid ethyl PubChem CID: 12183 IUPAC Name: ethyl 2-iodoacetate SMILES: CCOC(=O)CI

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Specifications

PubChem CID	12183
CAS	623-48-3
Molecular Weight (g/mol)	214.00
MDL Number	MFCD00001081
SMILES	CCOC(=O)CI
Synonym	ethyl iodoacetate,acetic acid, iodo-, ethyl ester,ethyl monoiodoacetate,iodoacetic acid, ethyl ester,acetic acid, 2-iodo-, ethyl ester,ethylester kyseliny jodoctove czech,acetic acid, 2-iodo-,ethyl ester,ethylester kyseliny jodoctove,ethyliodoacetate,iodoacetic acid ethyl
IUPAC Name	ethyl 2-iodoacetate
InChI Key	MFFXVVHUKRKXCI-UHFFFAOYSA-N
Molecular Formula	C4H7IO2

Thermo Scientific Chemicals Chloroacetic acid, 99%, flakes

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

(+/-)-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

Alpha-halocarboxylic acids and derivatives

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