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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

Dimethyl Octafluoroadipate 97.0+%, TCI America™

CAS: 3107-98-0 Molecular Formula: C8H6F8O4 Molecular Weight (g/mol): 318.119 MDL Number: MFCD00042267 InChI Key: XPXVIIILXUOEQA-UHFFFAOYSA-N Synonym: dimethyl octafluoroadipate,dimethyl perfluoroadipate,hexanedioic acid, octafluoro-, dimethyl ester,1,6-dimethyl 2,2,3,3,4,4,5,5-octafluorohexanedioate,dimethyloctafluoroadipate,acmc-1cson,dimethyl octafluoroadipinate,dimethyl octafluorohexanedioate,perfluoroadipic acid dimethyl ester,octafluoroadipic acid dimethyl ester PubChem CID: 2737117 IUPAC Name: dimethyl 2,2,3,3,4,4,5,5-octafluorohexanedioate SMILES: COC(=O)C(C(C(C(C(=O)OC)(F)F)(F)F)(F)F)(F)F

PubChem CID 2737117
CAS 3107-98-0
Molecular Weight (g/mol) 318.119
MDL Number MFCD00042267
SMILES COC(=O)C(C(C(C(C(=O)OC)(F)F)(F)F)(F)F)(F)F
Synonym dimethyl octafluoroadipate,dimethyl perfluoroadipate,hexanedioic acid, octafluoro-, dimethyl ester,1,6-dimethyl 2,2,3,3,4,4,5,5-octafluorohexanedioate,dimethyloctafluoroadipate,acmc-1cson,dimethyl octafluoroadipinate,dimethyl octafluorohexanedioate,perfluoroadipic acid dimethyl ester,octafluoroadipic acid dimethyl ester
IUPAC Name dimethyl 2,2,3,3,4,4,5,5-octafluorohexanedioate
InChI Key XPXVIIILXUOEQA-UHFFFAOYSA-N
Molecular Formula C8H6F8O4
2
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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

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
3
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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

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
4
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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

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
5

Difluoroacetic acid, 98%

CAS: 381-73-7 Molecular Formula: C2H2F2O2 Molecular Weight (g/mol): 96.033 MDL Number: MFCD00004220 InChI Key: PBWZKZYHONABLN-UHFFFAOYSA-N Synonym: difluoroacetic acid,acetic acid, difluoro,difluoressigsaeure,1,1-difluoroacetic acid,unii-zqk1c95k3n,zqk1c95k3n,acetic acid, 2,2-difluoro,difluoroaceticacid,difluoracetic acid,difluoro-acetic acid PubChem CID: 9788 ChEBI: CHEBI:23716 IUPAC Name: 2,2-difluoroacetic acid SMILES: C(C(=O)O)(F)F

PubChem CID 9788
CAS 381-73-7
Molecular Weight (g/mol) 96.033
ChEBI CHEBI:23716
MDL Number MFCD00004220
SMILES C(C(=O)O)(F)F
Synonym difluoroacetic acid,acetic acid, difluoro,difluoressigsaeure,1,1-difluoroacetic acid,unii-zqk1c95k3n,zqk1c95k3n,acetic acid, 2,2-difluoro,difluoroaceticacid,difluoracetic acid,difluoro-acetic acid
IUPAC Name 2,2-difluoroacetic acid
InChI Key PBWZKZYHONABLN-UHFFFAOYSA-N
Molecular Formula C2H2F2O2
6
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Benzyl chloroacetate, 98%

CAS: 140-18-1 Molecular Formula: C9H9ClO2 Molecular Weight (g/mol): 184.62 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

PubChem CID 8786
CAS 140-18-1
Molecular Weight (g/mol) 184.62
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
7

Sodium bromoacetate, 98%

CAS: 1068-52-6 Molecular Formula: C2H2BrNaO2 Molecular Weight (g/mol): 160.93 MDL Number: MFCD01311832 InChI Key: SESSOVUNEZQNBV-UHFFFAOYSA-M Synonym: sodium bromoacetate,sodium 2-bromoacetate,sodium monobromoacetate,unii-8j155ck8pv,acetic acid, bromo-, sodium salt,bromoacetic acid sodium salt,acmc-1bowb,sodium bromoacetate, ?brch2coona,acetic acid,bromo-,sodium salt 8ci,9ci,acetic acid, bromo-,sodium salt 8ci,9ci PubChem CID: 23675628 IUPAC Name: sodium;2-bromoacetate SMILES: C(C(=O)[O-])Br.[Na+]

PubChem CID 23675628
CAS 1068-52-6
Molecular Weight (g/mol) 160.93
MDL Number MFCD01311832
SMILES C(C(=O)[O-])Br.[Na+]
Synonym sodium bromoacetate,sodium 2-bromoacetate,sodium monobromoacetate,unii-8j155ck8pv,acetic acid, bromo-, sodium salt,bromoacetic acid sodium salt,acmc-1bowb,sodium bromoacetate, ?brch2coona,acetic acid,bromo-,sodium salt 8ci,9ci,acetic acid, bromo-,sodium salt 8ci,9ci
IUPAC Name sodium;2-bromoacetate
InChI Key SESSOVUNEZQNBV-UHFFFAOYSA-M
Molecular Formula C2H2BrNaO2
8
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2,2,2-Trifluoroethyl trifluoroacetate, 97+%, Thermo Scientific Chemicals

CAS: 407-38-5 Molecular Formula: C4H2F6O2 Molecular Weight (g/mol): 196.05 MDL Number: MFCD00000418 InChI Key: ZKUJOCJJXCPCFS-UHFFFAOYSA-N Synonym: 2,2,2-trifluoroethyl trifluoroacetate,acetic acid, trifluoro-, 2,2,2-trifluoroethyl ester,trifluoroacetic acid 2,2,2-trifluoroethyl ester,2,2,2-trifluoroethyltrifluoroacetate,pubchem12623,acmc-1ake7,cf3co2ch2cf3,cf3c o och2cf3,ksc496e0r,trifluoroethyl trifluoroacetate PubChem CID: 67888 IUPAC Name: 2,2,2-trifluoroethyl 2,2,2-trifluoroacetate SMILES: FC(F)(F)COC(=O)C(F)(F)F

PubChem CID 67888
CAS 407-38-5
Molecular Weight (g/mol) 196.05
MDL Number MFCD00000418
SMILES FC(F)(F)COC(=O)C(F)(F)F
Synonym 2,2,2-trifluoroethyl trifluoroacetate,acetic acid, trifluoro-, 2,2,2-trifluoroethyl ester,trifluoroacetic acid 2,2,2-trifluoroethyl ester,2,2,2-trifluoroethyltrifluoroacetate,pubchem12623,acmc-1ake7,cf3co2ch2cf3,cf3c o och2cf3,ksc496e0r,trifluoroethyl trifluoroacetate
IUPAC Name 2,2,2-trifluoroethyl 2,2,2-trifluoroacetate
InChI Key ZKUJOCJJXCPCFS-UHFFFAOYSA-N
Molecular Formula C4H2F6O2
9
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Ethyl oxalyl chloride, 98%

CAS: 4755-77-5 Molecular Formula: C4H5ClO3 Molecular Weight (g/mol): 136.531 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

PubChem CID 20884
CAS 4755-77-5
Molecular Weight (g/mol) 136.531
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
10
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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

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
11

Sigma Aldrich Fine Chemicals Biosciences Ethyl alpha-bromoisobutyrate 98% | 600-00-0 | MFCD00000123 | 500G

Ethyl alpha-bromoisobutyrate 98% | Purity: 98% | Mol Wt: 195.05 | 600-00-0 | MFCD00000123 | 500G

ENCOMPASS
12

Sigma Aldrich Ethyl bromodifluoroacetate

MilliporeSigma Sigma Organics products encompass a wide range of quality reagents, solvents, catalysts, and building blocks for organic synthesis. From benchtop discovery to process development and scale-up, Sigma Organics solutions are built to meet the needs of synthetic chemists.

ENCOMPASS ENCOMPASS_PREFERRED
CAS 667-27-6
13

Sigma Aldrich Ethyl 3-bromopropionate

MilliporeSigma Sigma Organics products encompass a wide range of quality reagents, solvents, catalysts, and building blocks for organic synthesis. From benchtop discovery to process development and scale-up, Sigma Organics solutions are built to meet the needs of synthetic chemists.

ENCOMPASS ENCOMPASS_PREFERRED
Boiling Point 135°C to 136°C (50 mmHg)
Percent Purity 98%
Linear Formula BrCH2CH2COOC2H5
CAS 539-74-2
Biological Activity Respiratory System
Molecular Weight (g/mol) 181.03
MDL Number MFCD00000251
Refractive Index n20/D 1.452 (literature)
Recommended Storage Room Temperature
Molecular Formula C5H9BrO2
EINECS Number 208-724-0
Density 1.412 g/mL (at 25°C (literature))
14

Sigma Aldrich Ethyl alpha-bromoisobutyrate

MilliporeSigma Sigma Organics products encompass a wide range of quality reagents, solvents, catalysts, and building blocks for organic synthesis. From benchtop discovery to process development and scale-up, Sigma Organics solutions are built to meet the needs of synthetic chemists.

ENCOMPASS ENCOMPASS_PREFERRED
Boiling Point 65°C to 67°C (11 mmHg)
Percent Purity 98%
Linear Formula (CH3)2 CBrCOOC2H5
CAS 600-00-0
Molecular Weight (g/mol) 195.05
MDL Number MFCD00000123
Refractive Index n20/D 1.444 (literature)
Synonym Ethyl 2-bromo-2-methylpropionate
Recommended Storage Room Temperature
Molecular Formula C6H11BrO2
EINECS Number 209-980-6
Density 1.329 g/mL (at 25°C (literature))
15

Chlorodifluoroacetic acid, 98+%, Thermo Scientific™

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

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