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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106 – 120 of 572 results

106

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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

107

DL-2-Bromopropionic acid, 99%

CAS: 598-72-1 Molecular Formula: C3H5BrO2 Molecular Weight (g/mol): 152.98 MDL Number: MFCD00004211,MFCD00145205 InChI Key: MONMFXREYOKQTI-UHFFFAOYNA-N Synonym: 2-bromopropionic acid,propanoic acid, 2-bromo,dl-2-bromopropionic,propionic acid, 2-bromo,alpha-bromopropionic acid,dl-2-bromopropionic acid,2-bromo-propionic acid,.alpha.-bromopropionic acid,propanoic acid, bromo,propanoicacid, 2-bromo PubChem CID: 11729 IUPAC Name: 2-bromopropanoic acid SMILES: CC(Br)C(O)=O

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Specifications

PubChem CID	11729
CAS	598-72-1
Molecular Weight (g/mol)	152.98
MDL Number	MFCD00004211,MFCD00145205
SMILES	CC(Br)C(O)=O
Synonym	2-bromopropionic acid,propanoic acid, 2-bromo,dl-2-bromopropionic,propionic acid, 2-bromo,alpha-bromopropionic acid,dl-2-bromopropionic acid,2-bromo-propionic acid,.alpha.-bromopropionic acid,propanoic acid, bromo,propanoicacid, 2-bromo
IUPAC Name	2-bromopropanoic acid
InChI Key	MONMFXREYOKQTI-UHFFFAOYNA-N
Molecular Formula	C3H5BrO2

108

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DL-Ethyl 2-bromopropionate, 99%

CAS: 535-11-5 Molecular Formula: C5H9BrO2 Molecular Weight (g/mol): 181.03 MDL Number: MFCD00000144 InChI Key: ARFLASKVLJTEJD-UHFFFAOYNA-N Synonym: ethyl 2-bromopropionate,ethyl alpha-bromopropionate,ethyl-2-bromopropionate,2-bromopropanoic acid ethyl ester,propanoic acid, 2-bromo-, ethyl ester,alpha-bromopropionic acid ethyl ester,ethyl a-bromopropionate,dl-ethyl 2-bromopropionate,2-bromopropionic acid ethyl ester,ethyl alpha-bromopropanoate PubChem CID: 79040 IUPAC Name: ethyl 2-bromopropanoate SMILES: CCOC(=O)C(C)Br

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PubChem CID	79040
CAS	535-11-5
Molecular Weight (g/mol)	181.03
MDL Number	MFCD00000144
SMILES	CCOC(=O)C(C)Br
Synonym	ethyl 2-bromopropionate,ethyl alpha-bromopropionate,ethyl-2-bromopropionate,2-bromopropanoic acid ethyl ester,propanoic acid, 2-bromo-, ethyl ester,alpha-bromopropionic acid ethyl ester,ethyl a-bromopropionate,dl-ethyl 2-bromopropionate,2-bromopropionic acid ethyl ester,ethyl alpha-bromopropanoate
IUPAC Name	ethyl 2-bromopropanoate
InChI Key	ARFLASKVLJTEJD-UHFFFAOYNA-N
Molecular Formula	C5H9BrO2

109

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tert-Butyl 2-bromobutyrate, 98%

CAS: 24457-21-4 Molecular Formula: C8H15BrO2 Molecular Weight (g/mol): 223.11 MDL Number: MFCD00209634 InChI Key: RIUJWUWLGXBICR-UHFFFAOYSA-N Synonym: tert-butyl 2-bromobutyrate,tert-butyl2-bromobutanoate,t-butyl 2-bromobutyrate,2-bromobutyric acid tert-butyl ester,2-bromobutanoic acid tert-butyl ester,butanoic acid, 2-bromo-, 1,1-dimethylethyl ester,tertbutyl 2-bromobutyrate,tert-butyl-2-bromobutyrat,acmc-1cb0d,tert-butyl-2-bromobutyrate PubChem CID: 13124118 IUPAC Name: tert-butyl 2-bromobutanoate SMILES: CCC(C(=O)OC(C)(C)C)Br

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PubChem CID	13124118
CAS	24457-21-4
Molecular Weight (g/mol)	223.11
MDL Number	MFCD00209634
SMILES	CCC(C(=O)OC(C)(C)C)Br
Synonym	tert-butyl 2-bromobutyrate,tert-butyl2-bromobutanoate,t-butyl 2-bromobutyrate,2-bromobutyric acid tert-butyl ester,2-bromobutanoic acid tert-butyl ester,butanoic acid, 2-bromo-, 1,1-dimethylethyl ester,tertbutyl 2-bromobutyrate,tert-butyl-2-bromobutyrat,acmc-1cb0d,tert-butyl-2-bromobutyrate
IUPAC Name	tert-butyl 2-bromobutanoate
InChI Key	RIUJWUWLGXBICR-UHFFFAOYSA-N
Molecular Formula	C8H15BrO2

110

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tert-Butyl chloroacetate, 97%

CAS: 107-59-5 Molecular Formula: C₆H₁₁ClO₂ Molecular Weight (g/mol): 150 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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PubChem CID	66052
CAS	107-59-5
Molecular Weight (g/mol)	150
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

111

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Trichloroacetic anhydride, 95%

CAS: 4124-31-6 Molecular Formula: C4Cl6O3 Molecular Weight (g/mol): 308.741 MDL Number: MFCD00000793 InChI Key: MEFKFJOEVLUFAY-UHFFFAOYSA-N Synonym: trichloroacetic anhydride,acetic acid, trichloro-, anhydride,acetic acid, 2,2,2-trichloro-, 1,1'-anhydride,acmc-1aliy,perchloroacetic anhydride,bis trichloroacetic anhydride,trichloroacetic acid anhydride,2,2,2-trichloroacetic anhydride,trichloroacetyl 2,2,2-trichloroacetate PubChem CID: 20079 IUPAC Name: (2,2,2-trichloroacetyl) 2,2,2-trichloroacetate SMILES: C(=O)(C(Cl)(Cl)Cl)OC(=O)C(Cl)(Cl)Cl

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PubChem CID	20079
CAS	4124-31-6
Molecular Weight (g/mol)	308.741
MDL Number	MFCD00000793
SMILES	C(=O)(C(Cl)(Cl)Cl)OC(=O)C(Cl)(Cl)Cl
Synonym	trichloroacetic anhydride,acetic acid, trichloro-, anhydride,acetic acid, 2,2,2-trichloro-, 1,1'-anhydride,acmc-1aliy,perchloroacetic anhydride,bis trichloroacetic anhydride,trichloroacetic acid anhydride,2,2,2-trichloroacetic anhydride,trichloroacetyl 2,2,2-trichloroacetate
IUPAC Name	(2,2,2-trichloroacetyl) 2,2,2-trichloroacetate
InChI Key	MEFKFJOEVLUFAY-UHFFFAOYSA-N
Molecular Formula	C4Cl6O3

112

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Benzyl bromoacetate, 97%

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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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

113

Zinc trifluoroacetate hydrate

CAS: 207801-31-8 Molecular Formula: C4F6O4Zn Molecular Weight (g/mol): 291.41 MDL Number: MFCD00061595 InChI Key: VCQWRGCXUWPSGY-UHFFFAOYSA-L Synonym: zinc trifluoroacetate hydrate,acmc-1ch94,zinc trifluoroacetate-water 1/2/1,zinc 2+ hydrate ditrifluoroacetate PubChem CID: 57375648 IUPAC Name: zinc;2,2,2-trifluoroacetate;hydrate SMILES: [Zn++].[O-]C(=O)C(F)(F)F.[O-]C(=O)C(F)(F)F

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PubChem CID	57375648
CAS	207801-31-8
Molecular Weight (g/mol)	291.41
MDL Number	MFCD00061595
SMILES	[Zn++].[O-]C(=O)C(F)(F)F.[O-]C(=O)C(F)(F)F
Synonym	zinc trifluoroacetate hydrate,acmc-1ch94,zinc trifluoroacetate-water 1/2/1,zinc 2+ hydrate ditrifluoroacetate
IUPAC Name	zinc;2,2,2-trifluoroacetate;hydrate
InChI Key	VCQWRGCXUWPSGY-UHFFFAOYSA-L
Molecular Formula	C4F6O4Zn

114

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Ethyl iodoacetate, 98%, stabilized, Thermo Scientific Chemicals

CAS: 623-48-3 Molecular Formula: C4H7IO2 Molecular Weight (g/mol): 214.00 MDL Number: MFCD00001081 InChI Key: MFFXVVHUKRKXCI-UHFFFAOYSA-N Synonym: ethyl iodoacetate,acetic acid, iodo-, ethyl ester,ethyl monoiodoacetate,iodoacetic acid, ethyl ester,acetic acid, 2-iodo-, ethyl ester,ethylester kyseliny jodoctove czech,acetic acid, 2-iodo-,ethyl ester,ethylester kyseliny jodoctove,ethyliodoacetate,iodoacetic acid ethyl PubChem CID: 12183 IUPAC Name: ethyl 2-iodoacetate SMILES: CCOC(=O)CI

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Specifications

PubChem CID	12183
CAS	623-48-3
Molecular Weight (g/mol)	214.00
MDL Number	MFCD00001081
SMILES	CCOC(=O)CI
Synonym	ethyl iodoacetate,acetic acid, iodo-, ethyl ester,ethyl monoiodoacetate,iodoacetic acid, ethyl ester,acetic acid, 2-iodo-, ethyl ester,ethylester kyseliny jodoctove czech,acetic acid, 2-iodo-,ethyl ester,ethylester kyseliny jodoctove,ethyliodoacetate,iodoacetic acid ethyl
IUPAC Name	ethyl 2-iodoacetate
InChI Key	MFFXVVHUKRKXCI-UHFFFAOYSA-N
Molecular Formula	C4H7IO2

115

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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

116

chlorodifluoroacetic acid sodium salt, 96%

CAS: 1895-39-2 Molecular Formula: C₂ClF₂NaO₂ Molecular Weight (g/mol): 152.46 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)	152.46
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

117

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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

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Specifications

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

118

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Ethyl bromofluoroacetate, 97%

CAS: 401-55-8 Molecular Formula: C4H6BrFO2 Molecular Weight (g/mol): 184.992 MDL Number: MFCD00042095 InChI Key: ULNDTPIRBQGESN-UHFFFAOYSA-N Synonym: ethyl bromofluoroacetate,bromofluoroacetic acid ethyl ester,ethyl-2-bromofluoroacetate,ethylbromofluoroacetate,acetic acid, bromofluoro-, ethyl ester,bromofluoroacetate,ethyl fluorobromoacetate,acmc-209jb9,ksc236i3t PubChem CID: 2733407 IUPAC Name: ethyl 2-bromo-2-fluoroacetate SMILES: CCOC(=O)C(F)Br

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Specifications

PubChem CID	2733407
CAS	401-55-8
Molecular Weight (g/mol)	184.992
MDL Number	MFCD00042095
SMILES	CCOC(=O)C(F)Br
Synonym	ethyl bromofluoroacetate,bromofluoroacetic acid ethyl ester,ethyl-2-bromofluoroacetate,ethylbromofluoroacetate,acetic acid, bromofluoro-, ethyl ester,bromofluoroacetate,ethyl fluorobromoacetate,acmc-209jb9,ksc236i3t
IUPAC Name	ethyl 2-bromo-2-fluoroacetate
InChI Key	ULNDTPIRBQGESN-UHFFFAOYSA-N
Molecular Formula	C4H6BrFO2

119

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

120

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(S)-(-)-2-Chloropropionic acid, 98%

CAS: 29617-66-1 Molecular Formula: C3H4ClO2 Molecular Weight (g/mol): 107.51 MDL Number: MFCD00064205 InChI Key: GAWAYYRQGQZKCR-REOHCLBHSA-M Synonym: s---2-chloropropionic acid,s-2-chloropropanoic acid,s-2-chloropropionic acid,2s-2-chloropropanoic acid,l-2-chloropropanoic acid,l-2-chloropropionic acid,alpha-l-chloropropionic acid,unii-pcc7j322cm,2s-chloropropanoic acid,2 s-chloropropionic acid PubChem CID: 107915 ChEBI: CHEBI:73956 IUPAC Name: (2S)-2-chloropropanoic acid SMILES: C[C@H](Cl)C([O-])=O

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Specifications

PubChem CID	107915
CAS	29617-66-1
Molecular Weight (g/mol)	107.51
ChEBI	CHEBI:73956
MDL Number	MFCD00064205
SMILES	C[C@H](Cl)C([O-])=O
Synonym	s---2-chloropropionic acid,s-2-chloropropanoic acid,s-2-chloropropionic acid,2s-2-chloropropanoic acid,l-2-chloropropanoic acid,l-2-chloropropionic acid,alpha-l-chloropropionic acid,unii-pcc7j322cm,2s-chloropropanoic acid,2 s-chloropropionic acid
IUPAC Name	(2S)-2-chloropropanoic acid
InChI Key	GAWAYYRQGQZKCR-REOHCLBHSA-M
Molecular Formula	C3H4ClO2

Alpha-halocarboxylic acids and derivatives

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