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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151 – 165 of 572 results

151

2,2,3,3-Tetrafluoropropionic Acid 95.0+%, TCI America™

CAS: 756-09-2 Molecular Formula: C3H2F4O2 Molecular Weight (g/mol): 146.041 MDL Number: MFCD00054686 InChI Key: PXRROZVNOOEPPZ-UHFFFAOYSA-N Synonym: flupropanate,3h-tetrafluoropropionic acid,2,2,3,3-tetrafluoropropionic acid,unii-376ks3j2q6,propanoic acid, 2,2,3,3-tetrafluoro,flupropanate iso,tetrafluoropropionic acid,pxrrozvnooeppz-uhfffaoysa PubChem CID: 69789 ChEBI: CHEBI:82013 IUPAC Name: 2,2,3,3-tetrafluoropropanoic acid SMILES: C(C(C(=O)O)(F)F)(F)F

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Specifications

PubChem CID	69789
CAS	756-09-2
Molecular Weight (g/mol)	146.041
ChEBI	CHEBI:82013
MDL Number	MFCD00054686
SMILES	C(C(C(=O)O)(F)F)(F)F
Synonym	flupropanate,3h-tetrafluoropropionic acid,2,2,3,3-tetrafluoropropionic acid,unii-376ks3j2q6,propanoic acid, 2,2,3,3-tetrafluoro,flupropanate iso,tetrafluoropropionic acid,pxrrozvnooeppz-uhfffaoysa
IUPAC Name	2,2,3,3-tetrafluoropropanoic acid
InChI Key	PXRROZVNOOEPPZ-UHFFFAOYSA-N
Molecular Formula	C3H2F4O2

152

Benzyl Chloroacetate 97.0+%, TCI America™

CAS: 140-18-1 Molecular Formula: C9H9ClO2 Molecular Weight (g/mol): 184.619 MDL Number: MFCD00157062 InChI Key: SOGXBRHOWDEKQB-UHFFFAOYSA-N Synonym: benzyl chloroacetate,benzyl monochloracetate,acetic acid, chloro-, phenylmethyl ester,chloroacetic acid, benzyl ester,monochloroacetate,chloroacetic acid benzyl ester,benzyl-alpha-chloroacetate,phenylmethyl chloroacetate,acetic acid, chloro-, benzyl ester,phenylmethyl 2-chloroacetate PubChem CID: 8786 IUPAC Name: benzyl 2-chloroacetate SMILES: C1=CC=C(C=C1)COC(=O)CCl

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Specifications

PubChem CID	8786
CAS	140-18-1
Molecular Weight (g/mol)	184.619
MDL Number	MFCD00157062
SMILES	C1=CC=C(C=C1)COC(=O)CCl
Synonym	benzyl chloroacetate,benzyl monochloracetate,acetic acid, chloro-, phenylmethyl ester,chloroacetic acid, benzyl ester,monochloroacetate,chloroacetic acid benzyl ester,benzyl-alpha-chloroacetate,phenylmethyl chloroacetate,acetic acid, chloro-, benzyl ester,phenylmethyl 2-chloroacetate
IUPAC Name	benzyl 2-chloroacetate
InChI Key	SOGXBRHOWDEKQB-UHFFFAOYSA-N
Molecular Formula	C9H9ClO2

153

(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

154

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

155

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

156

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

157

Ethyl Difluoroacetate 98.0+%, TCI America™

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

158

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

159

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

160

Isopropyl 2-Bromo-2-methylpropionate 97.0+%, TCI America™

CAS: 51368-55-9 Molecular Formula: C7H13BrO2 Molecular Weight (g/mol): 209.08 MDL Number: MFCD00055235 InChI Key: UNZJYKKJZGIFCG-UHFFFAOYSA-N Synonym: isopropyl 2-bromo-2-methylpropanoate,isopropyl 2-bromo-2-methylpropionate,2-bromo-2-methylpropionic acid isopropyl ester,isopropyl 2-bromoisobutyrate,propanoic acid, 2-bromo-2-methyl-, 1-methylethyl ester,isopropyl 2-bromo-2-methyl-propanoate,methylethyl 2-bromo-2-methylpropanoate,2-bromo-iso-butyric acid isopropyl ester,propan-2-yl 2-bromanyl-2-methyl-propanoate,2-bromoisobutyric acid isopropyl ester PubChem CID: 2796293 IUPAC Name: propan-2-yl 2-bromo-2-methylpropanoate SMILES: CC(C)OC(=O)C(C)(C)Br

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Specifications

PubChem CID	2796293
CAS	51368-55-9
Molecular Weight (g/mol)	209.08
MDL Number	MFCD00055235
SMILES	CC(C)OC(=O)C(C)(C)Br
Synonym	isopropyl 2-bromo-2-methylpropanoate,isopropyl 2-bromo-2-methylpropionate,2-bromo-2-methylpropionic acid isopropyl ester,isopropyl 2-bromoisobutyrate,propanoic acid, 2-bromo-2-methyl-, 1-methylethyl ester,isopropyl 2-bromo-2-methyl-propanoate,methylethyl 2-bromo-2-methylpropanoate,2-bromo-iso-butyric acid isopropyl ester,propan-2-yl 2-bromanyl-2-methyl-propanoate,2-bromoisobutyric acid isopropyl ester
IUPAC Name	propan-2-yl 2-bromo-2-methylpropanoate
InChI Key	UNZJYKKJZGIFCG-UHFFFAOYSA-N
Molecular Formula	C7H13BrO2

161

Butyl Chloroacetate 98.0+%, TCI America™

CAS: 590-02-3 Molecular Formula: C6H11ClO2 Molecular Weight (g/mol): 150.60 MDL Number: MFCD00018925 InChI Key: YJRGMUWRPCPLNH-UHFFFAOYSA-N Synonym: Chloroacetic Acid Butyl Ester PubChem CID: 11530 IUPAC Name: butyl 2-chloroacetate SMILES: CCCCOC(=O)CCl

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Specifications

PubChem CID	11530
CAS	590-02-3
Molecular Weight (g/mol)	150.60
MDL Number	MFCD00018925
SMILES	CCCCOC(=O)CCl
Synonym	Chloroacetic Acid Butyl Ester
IUPAC Name	butyl 2-chloroacetate
InChI Key	YJRGMUWRPCPLNH-UHFFFAOYSA-N
Molecular Formula	C6H11ClO2

162

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

163

Sodium Bromodifluoroacetate 98.0+%, TCI America™

CAS: 84349-27-9 Molecular Formula: C2BrF2NaO2 Molecular Weight (g/mol): 196.911 MDL Number: MFCD04038355 InChI Key: CAQKQIYWKXZJGD-UHFFFAOYSA-M Synonym: Bromodifluoroacetic Acid Sodium Salt PubChem CID: 2782418 IUPAC Name: sodium;2-bromo-2,2-difluoroacetate SMILES: C(=O)(C(F)(F)Br)[O-].[Na+]

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Specifications

PubChem CID	2782418
CAS	84349-27-9
Molecular Weight (g/mol)	196.911
MDL Number	MFCD04038355
SMILES	C(=O)(C(F)(F)Br)[O-].[Na+]
Synonym	Bromodifluoroacetic Acid Sodium Salt
IUPAC Name	sodium;2-bromo-2,2-difluoroacetate
InChI Key	CAQKQIYWKXZJGD-UHFFFAOYSA-M
Molecular Formula	C2BrF2NaO2

164

Butyl Fluoroacetate 97.0+%, TCI America™

CAS: 371-49-3 Molecular Formula: C6H11FO2 Molecular Weight (g/mol): 134.15 MDL Number: MFCD00042194 InChI Key: FZXXGBGMLALCIH-UHFFFAOYSA-N Synonym: Fluoroacetic Acid Butyl Ester PubChem CID: 67790 IUPAC Name: butyl 2-fluoroacetate SMILES: CCCCOC(=O)CF

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Specifications

PubChem CID	67790
CAS	371-49-3
Molecular Weight (g/mol)	134.15
MDL Number	MFCD00042194
SMILES	CCCCOC(=O)CF
Synonym	Fluoroacetic Acid Butyl Ester
IUPAC Name	butyl 2-fluoroacetate
InChI Key	FZXXGBGMLALCIH-UHFFFAOYSA-N
Molecular Formula	C6H11FO2

165

Sodium Dichloroacetate 99.0+%, TCI America™

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

Alpha-halocarboxylic acids and derivatives

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