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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121 – 135 of 565 results

121

LiChropur™ Ammonium Trifluoroacetate, MilliporeSigma™ Supelco™

CAS: 3336-58-1 Molecular Formula: C2H5F3NO2 Molecular Weight (g/mol): 132.06 MDL Number: MFCD00012615,MFCD03095537 InChI Key: YCNIBOIOWCTRCL-UHFFFAOYSA-O Synonym: Trifluoroacetic acid ammonium salt IUPAC Name: ammonium trifluoroacetic acid SMILES: [NH4+].OC(=O)C(F)(F)F

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Specifications

CAS	3336-58-1
Molecular Weight (g/mol)	132.06
MDL Number	MFCD00012615,MFCD03095537
SMILES	[NH4+].OC(=O)C(F)(F)F
Synonym	Trifluoroacetic acid ammonium salt
IUPAC Name	ammonium trifluoroacetic acid
InChI Key	YCNIBOIOWCTRCL-UHFFFAOYSA-O
Molecular Formula	C2H5F3NO2

122

Ethyl 2,2-difluoropropionate, 97%

CAS: 28781-85-3 Molecular Formula: C5H8F2O2 Molecular Weight (g/mol): 138.114 MDL Number: MFCD06657970 InChI Key: ISVLDAIKRGXNCZ-UHFFFAOYSA-N Synonym: 2,2-difluoropropionic acid ethyl ester,ethyl 2,2-difluoropropionate,2,2-difluoropropionicacidethylester,2,2-difluoro-propionic acid ethyl ester,propanoic acid, 2,2-difluoro-, ethyl ester,ethyl difluoropropionate,ethyl 2,2 difluoropropionate,difluoropropionic acid ethyl ester,2,2-difluoropropionic acidethyl ester PubChem CID: 2761188 IUPAC Name: ethyl 2,2-difluoropropanoate SMILES: CCOC(=O)C(C)(F)F

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Specifications

PubChem CID	2761188
CAS	28781-85-3
Molecular Weight (g/mol)	138.114
MDL Number	MFCD06657970
SMILES	CCOC(=O)C(C)(F)F
Synonym	2,2-difluoropropionic acid ethyl ester,ethyl 2,2-difluoropropionate,2,2-difluoropropionicacidethylester,2,2-difluoro-propionic acid ethyl ester,propanoic acid, 2,2-difluoro-, ethyl ester,ethyl difluoropropionate,ethyl 2,2 difluoropropionate,difluoropropionic acid ethyl ester,2,2-difluoropropionic acidethyl ester
IUPAC Name	ethyl 2,2-difluoropropanoate
InChI Key	ISVLDAIKRGXNCZ-UHFFFAOYSA-N
Molecular Formula	C5H8F2O2

123

Chloroacetic Acid 99.0+%, TCI America™

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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Specifications

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

124

Sodium Chlorodifluoroacetate 99.0+%, TCI America™

CAS: 1895-39-2 Molecular Formula: C2ClF2NaO2 Molecular Weight (g/mol): 152.457 MDL Number: MFCD00064771 InChI Key: MRTAVLDNYYEJHK-UHFFFAOYSA-M Synonym: sodium chlorodifluoroacetate,sodium 2-chloro-2,2-difluoroacetate,chlorodifluoroacetic acid sodium salt,sodium chloro difluoro acetate,acetic acid, chlorodifluoro-, sodium salt,sodiumchlorodifluoroacetate,difluorochloroacetic acid sodium salt,sodium difluorochloroacetate,chlorodifluoroacetic acid sodium PubChem CID: 2734985 IUPAC Name: sodium;2-chloro-2,2-difluoroacetate SMILES: C(=O)(C(F)(F)Cl)[O-].[Na+]

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Specifications

PubChem CID	2734985
CAS	1895-39-2
Molecular Weight (g/mol)	152.457
MDL Number	MFCD00064771
SMILES	C(=O)(C(F)(F)Cl)[O-].[Na+]
Synonym	sodium chlorodifluoroacetate,sodium 2-chloro-2,2-difluoroacetate,chlorodifluoroacetic acid sodium salt,sodium chloro difluoro acetate,acetic acid, chlorodifluoro-, sodium salt,sodiumchlorodifluoroacetate,difluorochloroacetic acid sodium salt,sodium difluorochloroacetate,chlorodifluoroacetic acid sodium
IUPAC Name	sodium;2-chloro-2,2-difluoroacetate
InChI Key	MRTAVLDNYYEJHK-UHFFFAOYSA-M
Molecular Formula	C2ClF2NaO2

125

Dimethyl Bromomalonate 95.0+%, TCI America™

CAS: 868-26-8 Molecular Formula: C5H7BrO4 Molecular Weight (g/mol): 211.011 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)	211.011
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

126

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

127

Benzyl Bromoacetate 96.0+%, TCI America™

CAS: 5437-45-6 Molecular Formula: C9H9BrO2 Molecular Weight (g/mol): 229.073 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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Specifications

PubChem CID	62576
CAS	5437-45-6
Molecular Weight (g/mol)	229.073
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

128

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

129

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

130

Ethyl Trifluoroacetate 99.0+%, TCI America™

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

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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

131

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

132

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

133

Tribromoacetic Acid 98.0+%, TCI America™

CAS: 75-96-7 Molecular Formula: C2HBr3O2 Molecular Weight (g/mol): 296.74 MDL Number: MFCD00004167 InChI Key: QIONYIKHPASLHO-UHFFFAOYSA-N Synonym: tribromoacetic acid,acetic acid, tribromo,tribromacetic acid,unii-71ktl99qjx,ccris 7887,71ktl99qjx,acetic acid, 2,2,2-tribromo,snpljqbkdvidtaetp@,dsstox_cid_1668,acmc-209p0y PubChem CID: 6415 IUPAC Name: 2,2,2-tribromoacetic acid SMILES: C(=O)(C(Br)(Br)Br)O

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Specifications

PubChem CID	6415
CAS	75-96-7
Molecular Weight (g/mol)	296.74
MDL Number	MFCD00004167
SMILES	C(=O)(C(Br)(Br)Br)O
Synonym	tribromoacetic acid,acetic acid, tribromo,tribromacetic acid,unii-71ktl99qjx,ccris 7887,71ktl99qjx,acetic acid, 2,2,2-tribromo,snpljqbkdvidtaetp@,dsstox_cid_1668,acmc-209p0y
IUPAC Name	2,2,2-tribromoacetic acid
InChI Key	QIONYIKHPASLHO-UHFFFAOYSA-N
Molecular Formula	C2HBr3O2

134

2-Bromoisobutyric Acid 98.0+%, TCI America™

CAS: 2052-01-9 Molecular Formula: C4H7BrO2 Molecular Weight (g/mol): 167.00 MDL Number: MFCD00004168 InChI Key: XXSPGBOGLXKMDU-UHFFFAOYSA-N Synonym: 2-bromoisobutyric acid,2-bromo-2-methylpropionic acid,isobromobutyric acid,propanoic acid, 2-bromo-2-methyl,alpha-bromoisobutyric acid,.alpha.-bromoisobutyric acid,2-bromo-2-methyl-propanoic acid,propionic acid, 2-bromo-2-methyl,unii-821p2r6b0a,ccris 9046 PubChem CID: 74924 IUPAC Name: 2-bromo-2-methylpropanoic acid SMILES: CC(C)(C(=O)O)Br

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Specifications

PubChem CID	74924
CAS	2052-01-9
Molecular Weight (g/mol)	167.00
MDL Number	MFCD00004168
SMILES	CC(C)(C(=O)O)Br
Synonym	2-bromoisobutyric acid,2-bromo-2-methylpropionic acid,isobromobutyric acid,propanoic acid, 2-bromo-2-methyl,alpha-bromoisobutyric acid,.alpha.-bromoisobutyric acid,2-bromo-2-methyl-propanoic acid,propionic acid, 2-bromo-2-methyl,unii-821p2r6b0a,ccris 9046
IUPAC Name	2-bromo-2-methylpropanoic acid
InChI Key	XXSPGBOGLXKMDU-UHFFFAOYSA-N
Molecular Formula	C4H7BrO2

135

2,3-Dibromopropionic Acid 97.0+%, TCI America™

CAS: 600-05-5 Molecular Formula: C3H4Br2O2 Molecular Weight (g/mol): 231.87 MDL Number: MFCD00004212 InChI Key: ZMYAKSMZTVWUJB-UHFFFAOYNA-N Synonym: 2,3-dibromopropionic acid,propanoic acid, 2,3-dibromo,alpha,beta-dibromopropionic acid,propionic acid, 2,3-dibromo,.alpha.,.beta.-dibromopropionic acid,acmc-209mhg,propanoic acid,3-dibromo,propionic acid,3-dibromo,2,3-dibromo-propionic acid,dsstox_cid_12832 PubChem CID: 11746 IUPAC Name: 2,3-dibromopropanoic acid SMILES: OC(=O)C(Br)CBr

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Specifications

PubChem CID	11746
CAS	600-05-5
Molecular Weight (g/mol)	231.87
MDL Number	MFCD00004212
SMILES	OC(=O)C(Br)CBr
Synonym	2,3-dibromopropionic acid,propanoic acid, 2,3-dibromo,alpha,beta-dibromopropionic acid,propionic acid, 2,3-dibromo,.alpha.,.beta.-dibromopropionic acid,acmc-209mhg,propanoic acid,3-dibromo,propionic acid,3-dibromo,2,3-dibromo-propionic acid,dsstox_cid_12832
IUPAC Name	2,3-dibromopropanoic acid
InChI Key	ZMYAKSMZTVWUJB-UHFFFAOYNA-N
Molecular Formula	C3H4Br2O2

Alpha-halocarboxylic acids and derivatives

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