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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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Keyword Search:
1 – 15 of 205 results
1

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

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
2

Sodium dichloroacetate, 96%

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

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
3

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

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
4

Ethyl difluoroacetate, 98%

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

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
5

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

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
6

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

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
7

Lead(II) trifluoroacetate hemihydrate, Thermo Scientific Chemicals

CAS: 4146-73-0 Molecular Formula: C4F6O4Pb Molecular Weight (g/mol): 433.23 MDL Number: MFCD00061594 InChI Key: XVULNTYAIWEMSW-UHFFFAOYSA-L Synonym: lead trifluoroacetate,lead ii 2,2,2-trifluoroacetate,acmc-1asut,bis trifluoroacetoxy lead ii PubChem CID: 71311182 IUPAC Name: lead(2+);2,2,2-trifluoroacetate SMILES: C(=O)(C(F)(F)F)[O-].C(=O)(C(F)(F)F)[O-].[Pb+2]

PubChem CID 71311182
CAS 4146-73-0
Molecular Weight (g/mol) 433.23
MDL Number MFCD00061594
SMILES C(=O)(C(F)(F)F)[O-].C(=O)(C(F)(F)F)[O-].[Pb+2]
Synonym lead trifluoroacetate,lead ii 2,2,2-trifluoroacetate,acmc-1asut,bis trifluoroacetoxy lead ii
IUPAC Name lead(2+);2,2,2-trifluoroacetate
InChI Key XVULNTYAIWEMSW-UHFFFAOYSA-L
Molecular Formula C4F6O4Pb
8

Diethyl tetrafluorosuccinate, 97%

CAS: 377-71-9 Molecular Formula: C8H10F4O4 Molecular Weight (g/mol): 246.158 MDL Number: MFCD00015155 InChI Key: BLZSSBPZHBFNBN-UHFFFAOYSA-N Synonym: diethyl tetrafluorosuccinate,diethyl perfluorosuccinate,butanedioic acid, tetrafluoro-, diethyl ester,diethyl 2,2,3,3-tetrafluorosuccinate,butanedioic acid, 2,2,3,3-tetrafluoro-, 1,4-diethyl ester,1,4-diethyl 2,2,3,3-tetrafluorobutanedioate,diethyl 2,2,3,3-tetrafluorobutane-1,4-dioate,diethyltetrafluorosuccinate,ethyl perfluorosuccinate,acmc-1cqkj PubChem CID: 67834 IUPAC Name: diethyl 2,2,3,3-tetrafluorobutanedioate SMILES: CCOC(=O)C(C(C(=O)OCC)(F)F)(F)F

PubChem CID 67834
CAS 377-71-9
Molecular Weight (g/mol) 246.158
MDL Number MFCD00015155
SMILES CCOC(=O)C(C(C(=O)OCC)(F)F)(F)F
Synonym diethyl tetrafluorosuccinate,diethyl perfluorosuccinate,butanedioic acid, tetrafluoro-, diethyl ester,diethyl 2,2,3,3-tetrafluorosuccinate,butanedioic acid, 2,2,3,3-tetrafluoro-, 1,4-diethyl ester,1,4-diethyl 2,2,3,3-tetrafluorobutanedioate,diethyl 2,2,3,3-tetrafluorobutane-1,4-dioate,diethyltetrafluorosuccinate,ethyl perfluorosuccinate,acmc-1cqkj
IUPAC Name diethyl 2,2,3,3-tetrafluorobutanedioate
InChI Key BLZSSBPZHBFNBN-UHFFFAOYSA-N
Molecular Formula C8H10F4O4
9

Chloroacetic acid, 99%

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

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
10

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
11

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+]

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
12

Sodium chloroacetate, 98%

CAS: 3926-62-3 Molecular Formula: C2H2ClNaO2 Molecular Weight (g/mol): 116.476 MDL Number: MFCD00002684 InChI Key: FDRCDNZGSXJAFP-UHFFFAOYSA-M Synonym: sodium chloroacetate,chloroacetic acid sodium salt,monoxone,acetic acid, chloro-, sodium salt,dow defoliant,sodium monochloroacetate,smca,sodium monochloracetate,caswell no. 755a,chloroctan sodny czech PubChem CID: 23665759 IUPAC Name: sodium;2-chloroacetate SMILES: C(C(=O)[O-])Cl.[Na+]

PubChem CID 23665759
CAS 3926-62-3
Molecular Weight (g/mol) 116.476
MDL Number MFCD00002684
SMILES C(C(=O)[O-])Cl.[Na+]
Synonym sodium chloroacetate,chloroacetic acid sodium salt,monoxone,acetic acid, chloro-, sodium salt,dow defoliant,sodium monochloroacetate,smca,sodium monochloracetate,caswell no. 755a,chloroctan sodny czech
IUPAC Name sodium;2-chloroacetate
InChI Key FDRCDNZGSXJAFP-UHFFFAOYSA-M
Molecular Formula C2H2ClNaO2
13

tert-Butyl bromoacetate, 99%

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

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
14

DL-alpha-Bromophenylacetic acid, 97%

CAS: 4870-65-9 Molecular Formula: C8H7BrO2 Molecular Weight (g/mol): 215.04 InChI Key: WAKFRZBXTKUFIW-UHFFFAOYSA-N Synonym: alpha-bromophenylacetic acid,bromo phenyl acetic acid,.alpha.-bromophenylacetic acid,bromophenylacetic acid,bromo-phenyl-acetic acid,bromo-phenylacetic acid,dl-.alpha.-bromophenylacetic acid,benzeneacetic acid, .alpha.-bromo,phenylbromoacetic acid,bromo phenyl aceticacid PubChem CID: 97919 IUPAC Name: 2-bromo-2-phenylacetic acid SMILES: C1=CC=C(C=C1)C(C(=O)O)Br

PubChem CID 97919
CAS 4870-65-9
Molecular Weight (g/mol) 215.04
SMILES C1=CC=C(C=C1)C(C(=O)O)Br
Synonym alpha-bromophenylacetic acid,bromo phenyl acetic acid,.alpha.-bromophenylacetic acid,bromophenylacetic acid,bromo-phenyl-acetic acid,bromo-phenylacetic acid,dl-.alpha.-bromophenylacetic acid,benzeneacetic acid, .alpha.-bromo,phenylbromoacetic acid,bromo phenyl aceticacid
IUPAC Name 2-bromo-2-phenylacetic acid
InChI Key WAKFRZBXTKUFIW-UHFFFAOYSA-N
Molecular Formula C8H7BrO2
15

Sodium trifluoroacetate, 98%

CAS: 2923-18-4 Molecular Formula: C2F3NaO2 Molecular Weight (g/mol): 136.01 MDL Number: MFCD00013217 InChI Key: UYCAUPASBSROMS-UHFFFAOYSA-M Synonym: sodium trifluoroacetate,trifluoroacetic acid sodium salt,acetic acid, trifluoro-, sodium salt,sodium perfluoroacetate,trifluoroacetate sodium,sodium 2,2,2-trifluoroacetate,trifluoroacetic acid sodium,trifluoroacetic acid,sodium salt,acetic acid, 2,2,2-trifluoro-, sodium salt 1:1,trifluoroacetic acid, sodium salt PubChem CID: 517019 SMILES: [Na+].[O-]C(=O)C(F)(F)F

PubChem CID 517019
CAS 2923-18-4
Molecular Weight (g/mol) 136.01
MDL Number MFCD00013217
SMILES [Na+].[O-]C(=O)C(F)(F)F
Synonym sodium trifluoroacetate,trifluoroacetic acid sodium salt,acetic acid, trifluoro-, sodium salt,sodium perfluoroacetate,trifluoroacetate sodium,sodium 2,2,2-trifluoroacetate,trifluoroacetic acid sodium,trifluoroacetic acid,sodium salt,acetic acid, 2,2,2-trifluoro-, sodium salt 1:1,trifluoroacetic acid, sodium salt
InChI Key UYCAUPASBSROMS-UHFFFAOYSA-M
Molecular Formula C2F3NaO2