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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181 – 195 of 577 results

181

Diethyl 2-Bromo-2-methylmalonate 98.0+%, TCI America™

CAS: 29263-94-3 Molecular Formula: C8H13BrO4 Molecular Weight (g/mol): 253.09 MDL Number: MFCD00009125 InChI Key: CSLQAXTUGPUBCW-UHFFFAOYSA-N Synonym: diethyl 2-bromo-2-methylmalonate,diethyl bromomethylmalonate,diethyl methylbromomalonate,2-bromo-2-methylmalonic acid diethyl ester,1,3-diethyl 2-bromo-2-methylpropanedioate,2-bromo-2-methylpropandioic acid diethyl ester,diethyl bromo methyl malonate,acmc-20al99,cslqaxtugpubcw-uhfffaoysa,diethyl-2-bromo-2-methyl-malonate PubChem CID: 94944 IUPAC Name: 1,3-diethyl 2-bromo-2-methylpropanedioate SMILES: CCOC(=O)C(C)(Br)C(=O)OCC

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Specifications

PubChem CID	94944
CAS	29263-94-3
Molecular Weight (g/mol)	253.09
MDL Number	MFCD00009125
SMILES	CCOC(=O)C(C)(Br)C(=O)OCC
Synonym	diethyl 2-bromo-2-methylmalonate,diethyl bromomethylmalonate,diethyl methylbromomalonate,2-bromo-2-methylmalonic acid diethyl ester,1,3-diethyl 2-bromo-2-methylpropanedioate,2-bromo-2-methylpropandioic acid diethyl ester,diethyl bromo methyl malonate,acmc-20al99,cslqaxtugpubcw-uhfffaoysa,diethyl-2-bromo-2-methyl-malonate
IUPAC Name	1,3-diethyl 2-bromo-2-methylpropanedioate
InChI Key	CSLQAXTUGPUBCW-UHFFFAOYSA-N
Molecular Formula	C8H13BrO4

182

(S)-(-)-2-Bromopropionic Acid 98.0+%, TCI America™

CAS: 32644-15-8 Molecular Formula: C3H5BrO2 Molecular Weight (g/mol): 152.975 MDL Number: MFCD00137325 InChI Key: MONMFXREYOKQTI-REOHCLBHSA-N Synonym: s---2-bromopropionic acid,s-2-bromopropionic acid,2s-2-bromopropanoic acid,s-2-bromopropanoic acid,l-2-bromopropionic acid,s---2-bromopropionicacid,l-alpha-bromopropionic acid,2s---2-bromopropionic acid,s-alpha-bromopropionic acid PubChem CID: 642232 IUPAC Name: (2S)-2-bromopropanoic acid SMILES: CC(C(=O)O)Br

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Specifications

PubChem CID	642232
CAS	32644-15-8
Molecular Weight (g/mol)	152.975
MDL Number	MFCD00137325
SMILES	CC(C(=O)O)Br
Synonym	s---2-bromopropionic acid,s-2-bromopropionic acid,2s-2-bromopropanoic acid,s-2-bromopropanoic acid,l-2-bromopropionic acid,s---2-bromopropionicacid,l-alpha-bromopropionic acid,2s---2-bromopropionic acid,s-alpha-bromopropionic acid
IUPAC Name	(2S)-2-bromopropanoic acid
InChI Key	MONMFXREYOKQTI-REOHCLBHSA-N
Molecular Formula	C3H5BrO2

183

Ethyl 2-Fluoroacetoacetate 95.0+%, TCI America™

CAS: 1522-41-4 Molecular Formula: C6H9FO3 Molecular Weight (g/mol): 148.133 MDL Number: MFCD00215830 InChI Key: SHTFQLHOTAJQRJ-UHFFFAOYSA-N Synonym: ethyl 2-fluoroacetoacetate,ethyl2-fluoroacetoacetate,2-fluoro-3-oxo-butanoic acid ethyl ester,2-fluoroacetoacetic acid ethyl ester,ethyl 2-fluoro-3-oxobutyrate,2-fluoro-3-oxo-butyric acid ethyl ester,ethyl 2-fluoro-3-oxo-butanoate,ethyl-2-fluoroacetoacetate,ethyl-2-fluoro-3-oxobutanoate,fluoroacetoacetic acid ethyl ester PubChem CID: 230078 IUPAC Name: ethyl 2-fluoro-3-oxobutanoate SMILES: CCOC(=O)C(C(=O)C)F

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Specifications

PubChem CID	230078
CAS	1522-41-4
Molecular Weight (g/mol)	148.133
MDL Number	MFCD00215830
SMILES	CCOC(=O)C(C(=O)C)F
Synonym	ethyl 2-fluoroacetoacetate,ethyl2-fluoroacetoacetate,2-fluoro-3-oxo-butanoic acid ethyl ester,2-fluoroacetoacetic acid ethyl ester,ethyl 2-fluoro-3-oxobutyrate,2-fluoro-3-oxo-butyric acid ethyl ester,ethyl 2-fluoro-3-oxo-butanoate,ethyl-2-fluoroacetoacetate,ethyl-2-fluoro-3-oxobutanoate,fluoroacetoacetic acid ethyl ester
IUPAC Name	ethyl 2-fluoro-3-oxobutanoate
InChI Key	SHTFQLHOTAJQRJ-UHFFFAOYSA-N
Molecular Formula	C6H9FO3

184

Ethyl Bromodifluoroacetate 98.0+%, TCI America™

CAS: 667-27-6 Molecular Formula: C4H5BrF2O2 Molecular Weight (g/mol): 202.983 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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Specifications

PubChem CID	69585
CAS	667-27-6
Molecular Weight (g/mol)	202.983
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

185

tert-Butyl 2-Bromoisobutyrate 98.0+%, TCI America™

CAS: 23877-12-5 Molecular Formula: C8H15BrO2 Molecular Weight (g/mol): 223.11 MDL Number: MFCD00051908 InChI Key: IGVNJALYNQVQIT-UHFFFAOYSA-N Synonym: tert-butyl 2-bromoisobutyrate,t-butyl 2-bromo isobutyrate,2-bromoisobutyric acid tert-butylester,tert-butyl 2-bromo-2-methylpropionate,tert-butyl alpha-bromoisobutyrate,t-butyl 2-bromoisobutylate,t-butyl 2-bromoisobutyrate,2-bromoisobutyric acid tert-butyl ester,propanoic acid, 2-bromo-2-methyl-, 1,1-dimethylethyl ester,t-butyl2-bromoisobutyrate PubChem CID: 90290 IUPAC Name: tert-butyl 2-bromo-2-methylpropanoate SMILES: CC(C)(C)OC(=O)C(C)(C)Br

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Specifications

PubChem CID	90290
CAS	23877-12-5
Molecular Weight (g/mol)	223.11
MDL Number	MFCD00051908
SMILES	CC(C)(C)OC(=O)C(C)(C)Br
Synonym	tert-butyl 2-bromoisobutyrate,t-butyl 2-bromo isobutyrate,2-bromoisobutyric acid tert-butylester,tert-butyl 2-bromo-2-methylpropionate,tert-butyl alpha-bromoisobutyrate,t-butyl 2-bromoisobutylate,t-butyl 2-bromoisobutyrate,2-bromoisobutyric acid tert-butyl ester,propanoic acid, 2-bromo-2-methyl-, 1,1-dimethylethyl ester,t-butyl2-bromoisobutyrate
IUPAC Name	tert-butyl 2-bromo-2-methylpropanoate
InChI Key	IGVNJALYNQVQIT-UHFFFAOYSA-N
Molecular Formula	C8H15BrO2

186

Diethyl Bromomalonate 85.0+%, TCI America™

CAS: 685-87-0 Molecular Formula: C7H11BrO4 Molecular Weight (g/mol): 239.065 MDL Number: MFCD00009138 InChI Key: FNJVDWXUKLTFFL-UHFFFAOYSA-N Synonym: diethyl bromomalonate,diethyl 2-bromomalonate,bromomalonic acid diethyl ester,ethyl bromomalonate,diethylbromomalonate,propanedioic acid, bromo-, diethyl ester,1,3-diethyl 2-bromopropanedioate,diethyl bromopropanedioate,malonic acid, bromo-, diethyl ester,propanedioic acid, 2-bromo-, 1,3-diethyl ester PubChem CID: 69637 IUPAC Name: diethyl 2-bromopropanedioate SMILES: CCOC(=O)C(C(=O)OCC)Br

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Specifications

PubChem CID	69637
CAS	685-87-0
Molecular Weight (g/mol)	239.065
MDL Number	MFCD00009138
SMILES	CCOC(=O)C(C(=O)OCC)Br
Synonym	diethyl bromomalonate,diethyl 2-bromomalonate,bromomalonic acid diethyl ester,ethyl bromomalonate,diethylbromomalonate,propanedioic acid, bromo-, diethyl ester,1,3-diethyl 2-bromopropanedioate,diethyl bromopropanedioate,malonic acid, bromo-, diethyl ester,propanedioic acid, 2-bromo-, 1,3-diethyl ester
IUPAC Name	diethyl 2-bromopropanedioate
InChI Key	FNJVDWXUKLTFFL-UHFFFAOYSA-N
Molecular Formula	C7H11BrO4

187

Ethyl 2-Fluoropropionate 97.0+%, TCI America™

CAS: 349-43-9 Molecular Formula: C5H9FO2 Molecular Weight (g/mol): 120.12 MDL Number: MFCD01320801 InChI Key: ODMITNOQNBVSQG-UHFFFAOYNA-N Synonym: 2-Fluoropropionic Acid Ethyl Ester PubChem CID: 265947 IUPAC Name: ethyl 2-fluoropropanoate SMILES: CCOC(=O)C(C)F

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Specifications

PubChem CID	265947
CAS	349-43-9
Molecular Weight (g/mol)	120.12
MDL Number	MFCD01320801
SMILES	CCOC(=O)C(C)F
Synonym	2-Fluoropropionic Acid Ethyl Ester
IUPAC Name	ethyl 2-fluoropropanoate
InChI Key	ODMITNOQNBVSQG-UHFFFAOYNA-N
Molecular Formula	C5H9FO2

188

tert-Butyl Bromoacetate 98.0+%, TCI America™

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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Specifications

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

189

3-Chloro-2,2,3,3-tetrafluoropropionic Acid 98.0+%, TCI America™

CAS: 661-82-5 Molecular Formula: C3HClF4O2 Molecular Weight (g/mol): 180.483 MDL Number: MFCD00153099 InChI Key: XJRMCFMZGRJXEZ-UHFFFAOYSA-N PubChem CID: 2782491 IUPAC Name: 3-chloro-2,2,3,3-tetrafluoropropanoic acid SMILES: C(=O)(C(C(F)(F)Cl)(F)F)O

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Specifications

PubChem CID	2782491
CAS	661-82-5
Molecular Weight (g/mol)	180.483
MDL Number	MFCD00153099
SMILES	C(=O)(C(C(F)(F)Cl)(F)F)O
IUPAC Name	3-chloro-2,2,3,3-tetrafluoropropanoic acid
InChI Key	XJRMCFMZGRJXEZ-UHFFFAOYSA-N
Molecular Formula	C3HClF4O2

190

Ethyl Trichloroacetate 97.0+%, TCI America™

CAS: 515-84-4 Molecular Formula: C4H5Cl3O2 Molecular Weight (g/mol): 191.43 MDL Number: MFCD00000795 InChI Key: SJMLNDPIJZBEKY-UHFFFAOYSA-N Synonym: ethyl trichloroacetate,acetic acid, trichloro-, ethyl ester,unii-br8fkn5z55,acetic acid, ester with trichloroethanol,ethyltrichloroacetate,br8fkn5z55,acetic acid, 2,2,2-trichloro-, ethyl ester,acmc-209kup,ethyl-2,2,2-trichloroacetate PubChem CID: 10588 IUPAC Name: ethyl 2,2,2-trichloroacetate SMILES: CCOC(=O)C(Cl)(Cl)Cl

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Specifications

PubChem CID	10588
CAS	515-84-4
Molecular Weight (g/mol)	191.43
MDL Number	MFCD00000795
SMILES	CCOC(=O)C(Cl)(Cl)Cl
Synonym	ethyl trichloroacetate,acetic acid, trichloro-, ethyl ester,unii-br8fkn5z55,acetic acid, ester with trichloroethanol,ethyltrichloroacetate,br8fkn5z55,acetic acid, 2,2,2-trichloro-, ethyl ester,acmc-209kup,ethyl-2,2,2-trichloroacetate
IUPAC Name	ethyl 2,2,2-trichloroacetate
InChI Key	SJMLNDPIJZBEKY-UHFFFAOYSA-N
Molecular Formula	C4H5Cl3O2

191

Methyl 2-Bromobutyrate 97.0+%, TCI America™

CAS: 3196-15-4 Molecular Formula: C5H9BrO2 Molecular Weight (g/mol): 181.029 MDL Number: MFCD00009666 InChI Key: UFQQDNMQADCHGH-UHFFFAOYSA-N Synonym: methyl 2-bromobutyrate,2-bromobutyric acid methyl ester,butanoic acid, 2-bromo-, methyl ester,methyl-2-bromobutyrate,alpha-bromobutyric acid methyl ester,methyl bromobutyrate,methyl-2-bromobutanoate,pubchem20191,methylaethylbromessigester,methyl alpha-bromobutyrate PubChem CID: 95577 IUPAC Name: methyl 2-bromobutanoate SMILES: CCC(C(=O)OC)Br

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Specifications

PubChem CID	95577
CAS	3196-15-4
Molecular Weight (g/mol)	181.029
MDL Number	MFCD00009666
SMILES	CCC(C(=O)OC)Br
Synonym	methyl 2-bromobutyrate,2-bromobutyric acid methyl ester,butanoic acid, 2-bromo-, methyl ester,methyl-2-bromobutyrate,alpha-bromobutyric acid methyl ester,methyl bromobutyrate,methyl-2-bromobutanoate,pubchem20191,methylaethylbromessigester,methyl alpha-bromobutyrate
IUPAC Name	methyl 2-bromobutanoate
InChI Key	UFQQDNMQADCHGH-UHFFFAOYSA-N
Molecular Formula	C5H9BrO2

192

Chlorodifluoroacetic Acid 98.0+%, TCI America™

CAS: 76-04-0 Molecular Formula: C2HClF2O2 Molecular Weight (g/mol): 130.475 MDL Number: MFCD00004176 InChI Key: OAWAZQITIZDJRB-UHFFFAOYSA-N Synonym: chlorodifluoroacetic acid,acetic acid, chlorodifluoro,difluorochloroacetic acid,chloro difluoro acetic acid,2-chloro-2,2-difluoro-acetic acid,acetic acid, 2-chloro-2,2-difluoro,snpljqdjptadtaetp@,chlorodifluoroaceticacid,chlorodifluoro acetic acid,acmc-209p1k PubChem CID: 66154 IUPAC Name: 2-chloro-2,2-difluoroacetic acid SMILES: C(=O)(C(F)(F)Cl)O

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Specifications

PubChem CID	66154
CAS	76-04-0
Molecular Weight (g/mol)	130.475
MDL Number	MFCD00004176
SMILES	C(=O)(C(F)(F)Cl)O
Synonym	chlorodifluoroacetic acid,acetic acid, chlorodifluoro,difluorochloroacetic acid,chloro difluoro acetic acid,2-chloro-2,2-difluoro-acetic acid,acetic acid, 2-chloro-2,2-difluoro,snpljqdjptadtaetp@,chlorodifluoroaceticacid,chlorodifluoro acetic acid,acmc-209p1k
IUPAC Name	2-chloro-2,2-difluoroacetic acid
InChI Key	OAWAZQITIZDJRB-UHFFFAOYSA-N
Molecular Formula	C2HClF2O2

193

Difluoroacetic Anhydride 98.0+%, TCI America™

CAS: 401-67-2 Molecular Formula: C4H2F4O3 Molecular Weight (g/mol): 174.051 MDL Number: MFCD02093315 InChI Key: IYXUFOCLMOXQSL-UHFFFAOYSA-N PubChem CID: 2774048 IUPAC Name: (2,2-difluoroacetyl) 2,2-difluoroacetate SMILES: C(C(=O)OC(=O)C(F)F)(F)F

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Specifications

PubChem CID	2774048
CAS	401-67-2
Molecular Weight (g/mol)	174.051
MDL Number	MFCD02093315
SMILES	C(C(=O)OC(=O)C(F)F)(F)F
IUPAC Name	(2,2-difluoroacetyl) 2,2-difluoroacetate
InChI Key	IYXUFOCLMOXQSL-UHFFFAOYSA-N
Molecular Formula	C4H2F4O3

194

Ethyl 2-Bromoisobutyrate 98.0+%, TCI America™

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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Specifications

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

195

Ethyl 2-Chloropropionate 97.0+%, TCI America™

CAS: 535-13-7 Molecular Formula: C5H9ClO2 Molecular Weight (g/mol): 136.58 MDL Number: MFCD00000864 InChI Key: JEAVBVKAYUCPAQ-UHFFFAOYNA-N PubChem CID: 10807 IUPAC Name: ethyl 2-chloropropanoate SMILES: CCOC(=O)C(C)Cl

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Specifications

PubChem CID	10807
CAS	535-13-7
Molecular Weight (g/mol)	136.58
MDL Number	MFCD00000864
SMILES	CCOC(=O)C(C)Cl
IUPAC Name	ethyl 2-chloropropanoate
InChI Key	JEAVBVKAYUCPAQ-UHFFFAOYNA-N
Molecular Formula	C5H9ClO2

Alpha-halocarboxylic acids and derivatives

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