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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61 – 75 of 572 results

Sodium chlorodifluoroacetate, 97%

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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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

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Isopropyl trifluoroacetate, 97%

CAS: 400-38-4 Molecular Formula: C5H7F3O2 Molecular Weight (g/mol): 156.10 MDL Number: MFCD00013566 InChI Key: ASAXRKSDVDALDT-UHFFFAOYSA-N Synonym: isopropyl trifluoroacetate,isopropyltrifluoroacetate,isopropyl 2,2,2-trifluoroacetate,acetic acid, trifluoro-, 1-methylethyl ester,iso-propyl trifluoroacetate,trifluoroacetic acid isopropyl ester,pubchem12590,acmc-1ctsh,methylethyl 2,2,2-trifluoroacetate PubChem CID: 78998 IUPAC Name: propan-2-yl 2,2,2-trifluoroacetate SMILES: CC(C)OC(=O)C(F)(F)F

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PubChem CID	78998
CAS	400-38-4
Molecular Weight (g/mol)	156.10
MDL Number	MFCD00013566
SMILES	CC(C)OC(=O)C(F)(F)F
Synonym	isopropyl trifluoroacetate,isopropyltrifluoroacetate,isopropyl 2,2,2-trifluoroacetate,acetic acid, trifluoro-, 1-methylethyl ester,iso-propyl trifluoroacetate,trifluoroacetic acid isopropyl ester,pubchem12590,acmc-1ctsh,methylethyl 2,2,2-trifluoroacetate
IUPAC Name	propan-2-yl 2,2,2-trifluoroacetate
InChI Key	ASAXRKSDVDALDT-UHFFFAOYSA-N
Molecular Formula	C5H7F3O2

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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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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

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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

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tert-Butyl chloroacetate, 98%

CAS: 107-59-5 Molecular Formula: C6H11ClO2 Molecular Weight (g/mol): 150.602 MDL Number: MFCD00000930 InChI Key: KUYMVWXKHQSIAS-UHFFFAOYSA-N Synonym: tert-butyl chloroacetate,chloroacetic acid tert-butyl ester,acetic acid, chloro-, 1,1-dimethylethyl ester,t-butyl chloroacetate,tert-butylchloroacetate,acetic acid, chloro-, tert-butyl ester,chloroacetic acid t-butyl ester,acetic acid, 2-chloro-, 1,1-dimethylethyl ester,t-butylchloroacetate,t-butyl-chloroacetate PubChem CID: 66052 IUPAC Name: tert-butyl 2-chloroacetate SMILES: CC(C)(C)OC(=O)CCl

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Specifications

PubChem CID	66052
CAS	107-59-5
Molecular Weight (g/mol)	150.602
MDL Number	MFCD00000930
SMILES	CC(C)(C)OC(=O)CCl
Synonym	tert-butyl chloroacetate,chloroacetic acid tert-butyl ester,acetic acid, chloro-, 1,1-dimethylethyl ester,t-butyl chloroacetate,tert-butylchloroacetate,acetic acid, chloro-, tert-butyl ester,chloroacetic acid t-butyl ester,acetic acid, 2-chloro-, 1,1-dimethylethyl ester,t-butylchloroacetate,t-butyl-chloroacetate
IUPAC Name	tert-butyl 2-chloroacetate
InChI Key	KUYMVWXKHQSIAS-UHFFFAOYSA-N
Molecular Formula	C6H11ClO2

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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

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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

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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

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Dimethyl fluoromalonate, 97%

CAS: 344-14-9 Molecular Formula: C5H7FO4 Molecular Weight (g/mol): 150.105 MDL Number: MFCD00054680 InChI Key: ZVXHZSXYHFBIEW-UHFFFAOYSA-N PubChem CID: 2737111 IUPAC Name: dimethyl 2-fluoropropanedioate SMILES: COC(=O)C(C(=O)OC)F

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PubChem CID	2737111
CAS	344-14-9
Molecular Weight (g/mol)	150.105
MDL Number	MFCD00054680
SMILES	COC(=O)C(C(=O)OC)F
IUPAC Name	dimethyl 2-fluoropropanedioate
InChI Key	ZVXHZSXYHFBIEW-UHFFFAOYSA-N
Molecular Formula	C5H7FO4

Ammonium trifluoroacetate, 98%

CAS: 3336-58-1 Molecular Formula: C2H5F3NO2 Molecular Weight (g/mol): 132.06 MDL Number: MFCD00012615,MFCD03095537 InChI Key: YCNIBOIOWCTRCL-UHFFFAOYSA-O Synonym: ammonium trifluoroacetate,azanium 2,2,2-trifluoroacetate,ammoniumtrifluoroacetate,ammonium triflouroacetate,cf3coonh4,acmc-1cq68,2,2,2-trifluoroacetic acid, azamethane,acetic acid, trifluoro-, ammonium salt 8ci 9ci PubChem CID: 86601334 IUPAC Name: azanium;2,2,2-trifluoroacetic acid SMILES: [NH4+].OC(=O)C(F)(F)F

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PubChem CID	86601334
CAS	3336-58-1
Molecular Weight (g/mol)	132.06
MDL Number	MFCD00012615,MFCD03095537
SMILES	[NH4+].OC(=O)C(F)(F)F
Synonym	ammonium trifluoroacetate,azanium 2,2,2-trifluoroacetate,ammoniumtrifluoroacetate,ammonium triflouroacetate,cf3coonh4,acmc-1cq68,2,2,2-trifluoroacetic acid, azamethane,acetic acid, trifluoro-, ammonium salt 8ci 9ci
IUPAC Name	azanium;2,2,2-trifluoroacetic acid
InChI Key	YCNIBOIOWCTRCL-UHFFFAOYSA-O
Molecular Formula	C2H5F3NO2

Mercury(II) trifluoroacetate, 98+%

CAS: 13257-51-7 Molecular Formula: C4F6HgO4 Molecular Weight (g/mol): 426.622 MDL Number: MFCD00013201 InChI Key: WMHOESUUCMEQMS-UHFFFAOYSA-L Synonym: mercury ii trifluoroacetate,mercury bis trifluoroacetate,mercury 2+ ditrifluoroacetate,mercury 2+ ; 2,2,2-trifluoroacetate,bis trifluoroacetato mercury,hg ococf3 2,hg o2ccf3 2,mercury bis-trifluoroacetate,mercury ii bis trifluoroacetate PubChem CID: 2723924 IUPAC Name: mercury(2+);2,2,2-trifluoroacetate SMILES: C(=O)(C(F)(F)F)[O-].C(=O)(C(F)(F)F)[O-].[Hg+2]

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Specifications

PubChem CID	2723924
CAS	13257-51-7
Molecular Weight (g/mol)	426.622
MDL Number	MFCD00013201
SMILES	C(=O)(C(F)(F)F)[O-].C(=O)(C(F)(F)F)[O-].[Hg+2]
Synonym	mercury ii trifluoroacetate,mercury bis trifluoroacetate,mercury 2+ ditrifluoroacetate,mercury 2+ ; 2,2,2-trifluoroacetate,bis trifluoroacetato mercury,hg ococf3 2,hg o2ccf3 2,mercury bis-trifluoroacetate,mercury ii bis trifluoroacetate
IUPAC Name	mercury(2+);2,2,2-trifluoroacetate
InChI Key	WMHOESUUCMEQMS-UHFFFAOYSA-L
Molecular Formula	C4F6HgO4

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DL-Ethyl 2-bromovalerate, 99%, Thermo Scientific™

CAS: 615-83-8 Molecular Formula: C₇H₁₃BrO₂ Molecular Weight (g/mol): 209.08 MDL Number: MFCD00000159 InChI Key: ORSIRXYHFPHWTN-UHFFFAOYSA-N PubChem CID: 79071 IUPAC Name: ethyl 2-bromopentanoate SMILES: CCCC(C(=O)OCC)Br

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PubChem CID	79071
CAS	615-83-8
Molecular Weight (g/mol)	209.08
MDL Number	MFCD00000159
SMILES	CCCC(C(=O)OCC)Br
IUPAC Name	ethyl 2-bromopentanoate
InChI Key	ORSIRXYHFPHWTN-UHFFFAOYSA-N
Molecular Formula	C₇H₁₃BrO₂

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Chloroacetic anhydride, 97%

CAS: 541-88-8 Molecular Formula: C4H4Cl2O3 Molecular Weight (g/mol): 170.97 MDL Number: MFCD00000929 InChI Key: PNVPNXKRAUBJGW-UHFFFAOYSA-N Synonym: chloroacetic anhydride,chloracetic anhydride,monochloroacetic acid anhydride,2-chloroacetic anhydride,chloroacetic acid anhydride,chloroacetyl anhydride,acetic acid, chloro-, anhydride,unii-8q7txh7r5f,monochloroacetic anhydride,8q7txh7r5f PubChem CID: 10946 IUPAC Name: (2-chloroacetyl) 2-chloroacetate SMILES: ClCC(=O)OC(=O)CCl

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PubChem CID	10946
CAS	541-88-8
Molecular Weight (g/mol)	170.97
MDL Number	MFCD00000929
SMILES	ClCC(=O)OC(=O)CCl
Synonym	chloroacetic anhydride,chloracetic anhydride,monochloroacetic acid anhydride,2-chloroacetic anhydride,chloroacetic acid anhydride,chloroacetyl anhydride,acetic acid, chloro-, anhydride,unii-8q7txh7r5f,monochloroacetic anhydride,8q7txh7r5f
IUPAC Name	(2-chloroacetyl) 2-chloroacetate
InChI Key	PNVPNXKRAUBJGW-UHFFFAOYSA-N
Molecular Formula	C4H4Cl2O3

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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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Specifications

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

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Methyl alpha-bromophenylacetate, 97+%

CAS: 3042-81-7 Molecular Formula: C₉H₉BrO₂ Molecular Weight (g/mol): 229.07 MDL Number: MFCD00013535 InChI Key: NHFBYYMNJUMVOT-UHFFFAOYSA-N Synonym: methyl alpha-bromophenylacetate,methyl bromophenylacetate,methyl bromo phenyl acetate,methyl .alpha.-bromophenylacetate,methyl2-bromo-2-phenylacetate,methyl .alpha.-bromobenzeneacetate,benzeneacetic acid, .alpha.-bromo-, methyl ester,+/--methyl alpha-bromophenylacetate,alpha-bromophenylacetic acid methyl ester,methyl .alpha.-bromo-.alpha.-phenylacetate PubChem CID: 137806 IUPAC Name: methyl 2-bromo-2-phenylacetate SMILES: COC(=O)C(C1=CC=CC=C1)Br

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PubChem CID	137806
CAS	3042-81-7
Molecular Weight (g/mol)	229.07
MDL Number	MFCD00013535
SMILES	COC(=O)C(C1=CC=CC=C1)Br
Synonym	methyl alpha-bromophenylacetate,methyl bromophenylacetate,methyl bromo phenyl acetate,methyl .alpha.-bromophenylacetate,methyl2-bromo-2-phenylacetate,methyl .alpha.-bromobenzeneacetate,benzeneacetic acid, .alpha.-bromo-, methyl ester,+/--methyl alpha-bromophenylacetate,alpha-bromophenylacetic acid methyl ester,methyl .alpha.-bromo-.alpha.-phenylacetate
IUPAC Name	methyl 2-bromo-2-phenylacetate
InChI Key	NHFBYYMNJUMVOT-UHFFFAOYSA-N
Molecular Formula	C₉H₉BrO₂

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Ethyl alpha-bromophenylacetate, 97%

CAS: 2882-19-1 Molecular Formula: C10H11BrO2 Molecular Weight (g/mol): 243.10 MDL Number: MFCD00013536 InChI Key: BKTKLDMYHTUESO-UHFFFAOYNA-N Synonym: ethyl alpha-bromophenylacetate,ethyl bromophenylacetate,ethyl bromo phenyl acetate,ethyl-alpha-bromophenyl acetate,ethyl-.alpha.-bromophenyl acetate,benzeneacetic acid, .alpha.-bromo-, ethyl ester,bromo-phenyl-acetic acid ethyl ester,benzeneacetic acid, alpha-bromo-, ethyl ester,eyr&vo2,ethylbromo phenyl acetate PubChem CID: 97780 IUPAC Name: ethyl 2-bromo-2-phenylacetate SMILES: CCOC(=O)C(Br)C1=CC=CC=C1

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Specifications

PubChem CID	97780
CAS	2882-19-1
Molecular Weight (g/mol)	243.10
MDL Number	MFCD00013536
SMILES	CCOC(=O)C(Br)C1=CC=CC=C1
Synonym	ethyl alpha-bromophenylacetate,ethyl bromophenylacetate,ethyl bromo phenyl acetate,ethyl-alpha-bromophenyl acetate,ethyl-.alpha.-bromophenyl acetate,benzeneacetic acid, .alpha.-bromo-, ethyl ester,bromo-phenyl-acetic acid ethyl ester,benzeneacetic acid, alpha-bromo-, ethyl ester,eyr&vo2,ethylbromo phenyl acetate
IUPAC Name	ethyl 2-bromo-2-phenylacetate
InChI Key	BKTKLDMYHTUESO-UHFFFAOYNA-N
Molecular Formula	C10H11BrO2

Alpha-halocarboxylic acids and derivatives

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