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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 – 15 of 203 results
1

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

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
2

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

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
3

Chloroacetic acid, 99+%, ACS reagent

CAS: 79-11-8 Molecular Formula: C2H3ClO2 Molecular Weight (g/mol): 94.5 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) 94.5
ChEBI CHEBI:27869
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
4

Bromoacetic anhydride, 95%

CAS: 13094-51-4 Molecular Formula: C4H4Br2O3 Molecular Weight (g/mol): 259.87 MDL Number: MFCD00045041 InChI Key: FUKOTTQGWQVMQB-UHFFFAOYSA-N Synonym: bromoacetic anhydride,2-bromoacetic anhydride,acetic acid, 2-bromo-,1,1'-anhydride,2-bromoacetyl 2-bromoacetate,bromoaceticanhydride,acetic acid, bromo-, anhydride PubChem CID: 4259817 IUPAC Name: (2-bromoacetyl) 2-bromoacetate SMILES: C(C(=O)OC(=O)CBr)Br

PubChem CID 4259817
CAS 13094-51-4
Molecular Weight (g/mol) 259.87
MDL Number MFCD00045041
SMILES C(C(=O)OC(=O)CBr)Br
Synonym bromoacetic anhydride,2-bromoacetic anhydride,acetic acid, 2-bromo-,1,1'-anhydride,2-bromoacetyl 2-bromoacetate,bromoaceticanhydride,acetic acid, bromo-, anhydride
IUPAC Name (2-bromoacetyl) 2-bromoacetate
InChI Key FUKOTTQGWQVMQB-UHFFFAOYSA-N
Molecular Formula C4H4Br2O3
5

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
6

Diethyl difluoromalonate, 97%

CAS: 680-65-9 Molecular Formula: C7H10F2O4 Molecular Weight (g/mol): 196.15 MDL Number: MFCD00221617 InChI Key: WCRVWLHTROHXBB-UHFFFAOYSA-N Synonym: diethyl 2,2-difluoromalonate,diethyl difluoromalonate,2,2-difluoro-malonic acid diethyl ester,1,3-diethyl 2,2-difluoropropanedioate,difluoromalonic acid diethyl ester,diethyl2,2-difluoromalonate,propanedioic acid, 2,2-difluoro-, 1,3-diethyl ester,propanedioic acid, difluoro-, diethyl ester,diethyl 2,2-difluoromalonate #,diethyl2,2-difluoropropanedioatev PubChem CID: 260648 IUPAC Name: diethyl 2,2-difluoropropanedioate SMILES: CCOC(=O)C(F)(F)C(=O)OCC

PubChem CID 260648
CAS 680-65-9
Molecular Weight (g/mol) 196.15
MDL Number MFCD00221617
SMILES CCOC(=O)C(F)(F)C(=O)OCC
Synonym diethyl 2,2-difluoromalonate,diethyl difluoromalonate,2,2-difluoro-malonic acid diethyl ester,1,3-diethyl 2,2-difluoropropanedioate,difluoromalonic acid diethyl ester,diethyl2,2-difluoromalonate,propanedioic acid, 2,2-difluoro-, 1,3-diethyl ester,propanedioic acid, difluoro-, diethyl ester,diethyl 2,2-difluoromalonate #,diethyl2,2-difluoropropanedioatev
IUPAC Name diethyl 2,2-difluoropropanedioate
InChI Key WCRVWLHTROHXBB-UHFFFAOYSA-N
Molecular Formula C7H10F2O4
7

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
8

tert-Butyl bromoacetate, 98%

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
9

Ethyl 2-bromoisovalerate, 97%

CAS: 609-12-1 Molecular Formula: C7H13BrO2 Molecular Weight (g/mol): 209.083 MDL Number: MFCD00026855 InChI Key: WNFUWONOILPKNX-UHFFFAOYSA-N Synonym: ethyl 2-bromoisovalerate,ethyl 2-bromo isovalerate,ethyl 2-bromo-3-methylbutyrate,ethyl .alpha.-bromoisovalerate,ethyl .alpha.-bromoisovalerate,2-bromoisovaleric acid ethyl ester,ethyl 2-bromo-3-methyl-butanoate,.alpha.-bromoisovaleric acid ethyl ester,ethyl,a-bromoisovalerate,a-bromoisovalerate PubChem CID: 79068 IUPAC Name: ethyl 2-bromo-3-methylbutanoate SMILES: CCOC(=O)C(C(C)C)Br

PubChem CID 79068
CAS 609-12-1
Molecular Weight (g/mol) 209.083
MDL Number MFCD00026855
SMILES CCOC(=O)C(C(C)C)Br
Synonym ethyl 2-bromoisovalerate,ethyl 2-bromo isovalerate,ethyl 2-bromo-3-methylbutyrate,ethyl .alpha.-bromoisovalerate,ethyl .alpha.-bromoisovalerate,2-bromoisovaleric acid ethyl ester,ethyl 2-bromo-3-methyl-butanoate,.alpha.-bromoisovaleric acid ethyl ester,ethyl,a-bromoisovalerate,a-bromoisovalerate
IUPAC Name ethyl 2-bromo-3-methylbutanoate
InChI Key WNFUWONOILPKNX-UHFFFAOYSA-N
Molecular Formula C7H13BrO2
10

Ethyl 2-fluoroisobutyrate, 97%, Thermo Scientific Chemicals

CAS: 55816-69-8 Molecular Formula: C6H11FO2 Molecular Weight (g/mol): 134.15 MDL Number: MFCD08062432 InChI Key: CJRQQJKWNULSFQ-UHFFFAOYSA-N Synonym: ethyl 2-fluoroisobutyrate,propanoic acid, 2-fluoro-2-methyl-, ethyl ester,ethyl 2-fluoro-isobutyrate,ethyl 2-fluoro-2-methylpropionate,2-fluoro-2-methylpropionic acid ethyl ester PubChem CID: 10898763 IUPAC Name: ethyl 2-fluoro-2-methylpropanoate SMILES: CCOC(=O)C(C)(C)F

PubChem CID 10898763
CAS 55816-69-8
Molecular Weight (g/mol) 134.15
MDL Number MFCD08062432
SMILES CCOC(=O)C(C)(C)F
Synonym ethyl 2-fluoroisobutyrate,propanoic acid, 2-fluoro-2-methyl-, ethyl ester,ethyl 2-fluoro-isobutyrate,ethyl 2-fluoro-2-methylpropionate,2-fluoro-2-methylpropionic acid ethyl ester
IUPAC Name ethyl 2-fluoro-2-methylpropanoate
InChI Key CJRQQJKWNULSFQ-UHFFFAOYSA-N
Molecular Formula C6H11FO2
11

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

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
12

Ethyl trifluoroacetate, 99%

CAS: 383-63-1 Molecular Formula: C4H5F3O2 Molecular Weight (g/mol): 142.077 MDL Number: MFCD00000419 InChI Key: STSCVKRWJPWALQ-UHFFFAOYSA-N Synonym: ethyl trifluoroacetate,trifluoroacetic acid ethyl ester,ethyltrifluoroacetate,acetic acid, trifluoro-, ethyl ester,trifluoroacetic acid, ethyl ester,ethyl trifluoroethanoate,unii-a6tzk6x11x,acetic acid, 2,2,2-trifluoro-, ethyl ester,a6tzk6x11x,ethyl ester of trifluoroacetic acid PubChem CID: 9794 IUPAC Name: ethyl 2,2,2-trifluoroacetate SMILES: CCOC(=O)C(F)(F)F

PubChem CID 9794
CAS 383-63-1
Molecular Weight (g/mol) 142.077
MDL Number MFCD00000419
SMILES CCOC(=O)C(F)(F)F
Synonym ethyl trifluoroacetate,trifluoroacetic acid ethyl ester,ethyltrifluoroacetate,acetic acid, trifluoro-, ethyl ester,trifluoroacetic acid, ethyl ester,ethyl trifluoroethanoate,unii-a6tzk6x11x,acetic acid, 2,2,2-trifluoro-, ethyl ester,a6tzk6x11x,ethyl ester of trifluoroacetic acid
IUPAC Name ethyl 2,2,2-trifluoroacetate
InChI Key STSCVKRWJPWALQ-UHFFFAOYSA-N
Molecular Formula C4H5F3O2
13

Chloroacetic acid sodium salt, 98%

CAS: 3926-62-3 Molecular Formula: C2H2ClNaO2 Molecular Weight (g/mol): 116.48 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) 116.48
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
14

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
15

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