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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 de 205 résultats
1

tert-Butyl 2-bromoisobutyrate, 97%

CAS: 23877-12-5 Formule moléculaire: C8H15BrO2 Poids moléculaire (g/mol): 223.11 Numéro MDL: MFCD00051908 Clé InChI: IGVNJALYNQVQIT-UHFFFAOYSA-N CID PubChem: 90290 Nom IUPAC: tert-butyl 2-bromo-2-methylpropanoate SMILES: CC(C)(C)OC(=O)C(C)(C)Br

Poids moléculaire (g/mol) 223.11
Numéro MDL MFCD00051908
CAS 23877-12-5
CID PubChem 90290
Nom IUPAC tert-butyl 2-bromo-2-methylpropanoate
Clé InChI IGVNJALYNQVQIT-UHFFFAOYSA-N
SMILES CC(C)(C)OC(=O)C(C)(C)Br
Formule moléculaire C8H15BrO2
2

Zinc trifluoroacetate hydrate

CAS: 207801-31-8 Formule moléculaire: C4F6O4Zn Poids moléculaire (g/mol): 291.41 Numéro MDL: MFCD00061595 Clé InChI: VCQWRGCXUWPSGY-UHFFFAOYSA-L Synonyme: zinc trifluoroacetate hydrate,acmc-1ch94,zinc trifluoroacetate-water 1/2/1,zinc 2+ hydrate ditrifluoroacetate CID PubChem: 57375648 Nom IUPAC: zinc;2,2,2-trifluoroacetate;hydrate SMILES: [Zn++].[O-]C(=O)C(F)(F)F.[O-]C(=O)C(F)(F)F

Poids moléculaire (g/mol) 291.41
Synonyme zinc trifluoroacetate hydrate,acmc-1ch94,zinc trifluoroacetate-water 1/2/1,zinc 2+ hydrate ditrifluoroacetate
Numéro MDL MFCD00061595
CAS 207801-31-8
CID PubChem 57375648
Nom IUPAC zinc;2,2,2-trifluoroacetate;hydrate
Clé InChI VCQWRGCXUWPSGY-UHFFFAOYSA-L
SMILES [Zn++].[O-]C(=O)C(F)(F)F.[O-]C(=O)C(F)(F)F
Formule moléculaire C4F6O4Zn
3

Diethyl tetrafluorosuccinate, 97%

CAS: 377-71-9 Formule moléculaire: C8H10F4O4 Poids moléculaire (g/mol): 246.158 Numéro MDL: MFCD00015155 Clé InChI: BLZSSBPZHBFNBN-UHFFFAOYSA-N Synonyme: 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 CID PubChem: 67834 Nom IUPAC: diethyl 2,2,3,3-tetrafluorobutanedioate SMILES: CCOC(=O)C(C(C(=O)OCC)(F)F)(F)F

Poids moléculaire (g/mol) 246.158
Synonyme 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
Numéro MDL MFCD00015155
CAS 377-71-9
CID PubChem 67834
Nom IUPAC diethyl 2,2,3,3-tetrafluorobutanedioate
Clé InChI BLZSSBPZHBFNBN-UHFFFAOYSA-N
SMILES CCOC(=O)C(C(C(=O)OCC)(F)F)(F)F
Formule moléculaire C8H10F4O4
4

Ethyl chlorodifluoroacetate, 98%

CAS: 383-62-0 Formule moléculaire: C4H5ClF2O2 Poids moléculaire (g/mol): 158.529 Numéro MDL: MFCD00013662 Clé InChI: GVCAWQUJCHZRCB-UHFFFAOYSA-N Synonyme: 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 CID PubChem: 67843 Nom IUPAC: ethyl 2-chloro-2,2-difluoroacetate SMILES: CCOC(=O)C(F)(F)Cl

Poids moléculaire (g/mol) 158.529
Synonyme 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
Numéro MDL MFCD00013662
CAS 383-62-0
CID PubChem 67843
Nom IUPAC ethyl 2-chloro-2,2-difluoroacetate
Clé InChI GVCAWQUJCHZRCB-UHFFFAOYSA-N
SMILES CCOC(=O)C(F)(F)Cl
Formule moléculaire C4H5ClF2O2
5

Chloroacetic acid, 99%

CAS: 79-11-8 Formule moléculaire: C2H3ClO2 Poids moléculaire (g/mol): 94.494 Numéro MDL: MFCD00002683 Clé InChI: FOCAUTSVDIKZOP-UHFFFAOYSA-N Synonyme: chloroacetic acid,monochloroacetic acid,chloracetic acid,acetic acid, chloro,acide chloracetique,chloroethanoic acid,monochloroethanoic acid,monochloracetic acid,monochloorazijnzuur,monochloressigsaeure CID PubChem: 300 ChEBI: CHEBI:27869 Nom IUPAC: 2-chloroacetic acid SMILES: C(C(=O)O)Cl

Poids moléculaire (g/mol) 94.494
Synonyme chloroacetic acid,monochloroacetic acid,chloracetic acid,acetic acid, chloro,acide chloracetique,chloroethanoic acid,monochloroethanoic acid,monochloracetic acid,monochloorazijnzuur,monochloressigsaeure
Numéro MDL MFCD00002683
CAS 79-11-8
CID PubChem 300
ChEBI CHEBI:27869
Nom IUPAC 2-chloroacetic acid
Clé InChI FOCAUTSVDIKZOP-UHFFFAOYSA-N
SMILES C(C(=O)O)Cl
Formule moléculaire C2H3ClO2
6

2-Bromoisobutyric acid, 98%

CAS: 2052-01-9 Formule moléculaire: C4H7BrO2 Poids moléculaire (g/mol): 167.00 Numéro MDL: MFCD00004168 Clé InChI: XXSPGBOGLXKMDU-UHFFFAOYSA-N Synonyme: 2-bromoisobutyric acid,2-bromo-2-methylpropionic acid,isobromobutyric acid,propanoic acid, 2-bromo-2-methyl,alpha-bromoisobutyric acid,.alpha.-bromoisobutyric acid,2-bromo-2-methyl-propanoic acid,propionic acid, 2-bromo-2-methyl,unii-821p2r6b0a,ccris 9046 CID PubChem: 74924 Nom IUPAC: 2-bromo-2-methylpropanoic acid SMILES: CC(C)(C(=O)O)Br

Poids moléculaire (g/mol) 167.00
Synonyme 2-bromoisobutyric acid,2-bromo-2-methylpropionic acid,isobromobutyric acid,propanoic acid, 2-bromo-2-methyl,alpha-bromoisobutyric acid,.alpha.-bromoisobutyric acid,2-bromo-2-methyl-propanoic acid,propionic acid, 2-bromo-2-methyl,unii-821p2r6b0a,ccris 9046
Numéro MDL MFCD00004168
CAS 2052-01-9
CID PubChem 74924
Nom IUPAC 2-bromo-2-methylpropanoic acid
Clé InChI XXSPGBOGLXKMDU-UHFFFAOYSA-N
SMILES CC(C)(C(=O)O)Br
Formule moléculaire C4H7BrO2
7

tert-Butyl bromoacetate, 98%

CAS: 5292-43-3 Formule moléculaire: C6H11BrO2 Poids moléculaire (g/mol): 195.06 Numéro MDL: MFCD00000188 Clé InChI: BNWCETAHAJSBFG-UHFFFAOYSA-N Synonyme: 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 CID PubChem: 79177 Nom IUPAC: tert-butyl 2-bromoacetate SMILES: CC(C)(C)OC(=O)CBr

Poids moléculaire (g/mol) 195.06
Synonyme 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
Numéro MDL MFCD00000188
CAS 5292-43-3
CID PubChem 79177
Nom IUPAC tert-butyl 2-bromoacetate
Clé InChI BNWCETAHAJSBFG-UHFFFAOYSA-N
SMILES CC(C)(C)OC(=O)CBr
Formule moléculaire C6H11BrO2
8

Ethyl bromofluoroacetate, 97%

CAS: 401-55-8 Formule moléculaire: C4H6BrFO2 Poids moléculaire (g/mol): 184.992 Numéro MDL: MFCD00042095 Clé InChI: ULNDTPIRBQGESN-UHFFFAOYSA-N Synonyme: ethyl bromofluoroacetate,bromofluoroacetic acid ethyl ester,ethyl-2-bromofluoroacetate,ethylbromofluoroacetate,acetic acid, bromofluoro-, ethyl ester,bromofluoroacetate,ethyl fluorobromoacetate,acmc-209jb9,ksc236i3t CID PubChem: 2733407 Nom IUPAC: ethyl 2-bromo-2-fluoroacetate SMILES: CCOC(=O)C(F)Br

Poids moléculaire (g/mol) 184.992
Synonyme ethyl bromofluoroacetate,bromofluoroacetic acid ethyl ester,ethyl-2-bromofluoroacetate,ethylbromofluoroacetate,acetic acid, bromofluoro-, ethyl ester,bromofluoroacetate,ethyl fluorobromoacetate,acmc-209jb9,ksc236i3t
Numéro MDL MFCD00042095
CAS 401-55-8
CID PubChem 2733407
Nom IUPAC ethyl 2-bromo-2-fluoroacetate
Clé InChI ULNDTPIRBQGESN-UHFFFAOYSA-N
SMILES CCOC(=O)C(F)Br
Formule moléculaire C4H6BrFO2
9

Bromoacetic acid, 98+%

CAS: 79-08-3 Formule moléculaire: C2H3BrO2 Poids moléculaire (g/mol): 138.948 Numéro MDL: MFCD00002678 Clé InChI: KDPAWGWELVVRCH-UHFFFAOYSA-N Synonyme: bromoacetic acid,monobromoacetic acid,bromoethanoic acid,acetic acid, bromo,to ntu,bromoacetate ion,acide bromacetique,2-bromoacetyl group,2-bromoethanoic acid,acetic acid, 2-bromo CID PubChem: 6227 Nom IUPAC: 2-bromoacetic acid SMILES: C(C(=O)O)Br

Poids moléculaire (g/mol) 138.948
Synonyme bromoacetic acid,monobromoacetic acid,bromoethanoic acid,acetic acid, bromo,to ntu,bromoacetate ion,acide bromacetique,2-bromoacetyl group,2-bromoethanoic acid,acetic acid, 2-bromo
Numéro MDL MFCD00002678
CAS 79-08-3
CID PubChem 6227
Nom IUPAC 2-bromoacetic acid
Clé InChI KDPAWGWELVVRCH-UHFFFAOYSA-N
SMILES C(C(=O)O)Br
Formule moléculaire C2H3BrO2
10

Ammonium trifluoroacetate, 98%

CAS: 3336-58-1 Formule moléculaire: C2H5F3NO2 Poids moléculaire (g/mol): 132.06 Numéro MDL: MFCD00012615,MFCD03095537 Clé InChI: YCNIBOIOWCTRCL-UHFFFAOYSA-O Synonyme: 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 CID PubChem: 86601334 Nom IUPAC: azanium;2,2,2-trifluoroacetic acid SMILES: [NH4+].OC(=O)C(F)(F)F

Poids moléculaire (g/mol) 132.06
Synonyme 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
Numéro MDL MFCD00012615,MFCD03095537
CAS 3336-58-1
CID PubChem 86601334
Nom IUPAC azanium;2,2,2-trifluoroacetic acid
Clé InChI YCNIBOIOWCTRCL-UHFFFAOYSA-O
SMILES [NH4+].OC(=O)C(F)(F)F
Formule moléculaire C2H5F3NO2
11

Ethyl 2,3-dibromopropionate, 97%

CAS: 3674-13-3 Formule moléculaire: C5H8Br2O2 Poids moléculaire (g/mol): 259.925 Numéro MDL: MFCD00000212 Clé InChI: OENICUBCLXKLJQ-UHFFFAOYSA-N CID PubChem: 97945 Nom IUPAC: ethyl 2,3-dibromopropanoate SMILES: CCOC(=O)C(CBr)Br

Poids moléculaire (g/mol) 259.925
Numéro MDL MFCD00000212
CAS 3674-13-3
CID PubChem 97945
Nom IUPAC ethyl 2,3-dibromopropanoate
Clé InChI OENICUBCLXKLJQ-UHFFFAOYSA-N
SMILES CCOC(=O)C(CBr)Br
Formule moléculaire C5H8Br2O2
13

Isopropyl chloroacetate, 99%

CAS: 105-48-6 Formule moléculaire: C5H9ClO2 Poids moléculaire (g/mol): 136.58 Numéro MDL: MFCD00040410 Clé InChI: VODRWDBLLGYRJT-UHFFFAOYSA-N Synonyme: isopropyl chloroacetate,chloroacetic acid isopropyl ester,acetic acid, chloro-, 1-methylethyl ester,iso-propyl chloroacetate,clch2c o och ch3 2,ccris 7748,acetic acid, chloro-, isopropyl ester,acetic acid, 2-chloro-, 1-methylethyl ester,chloroacetic acid, 1-methyl ester,monochloroacetic acid isopropyl ester CID PubChem: 7759 Nom IUPAC: propan-2-yl 2-chloroacetate SMILES: CC(C)OC(=O)CCl

Poids moléculaire (g/mol) 136.58
Synonyme isopropyl chloroacetate,chloroacetic acid isopropyl ester,acetic acid, chloro-, 1-methylethyl ester,iso-propyl chloroacetate,clch2c o och ch3 2,ccris 7748,acetic acid, chloro-, isopropyl ester,acetic acid, 2-chloro-, 1-methylethyl ester,chloroacetic acid, 1-methyl ester,monochloroacetic acid isopropyl ester
Numéro MDL MFCD00040410
CAS 105-48-6
CID PubChem 7759
Nom IUPAC propan-2-yl 2-chloroacetate
Clé InChI VODRWDBLLGYRJT-UHFFFAOYSA-N
SMILES CC(C)OC(=O)CCl
Formule moléculaire C5H9ClO2
14

2-Bromo-3-fluoropropionic acid, 96%, Thermo Scientific Chemicals

CAS: 16652-36-1 Formule moléculaire: C3H4BrFO2 Poids moléculaire (g/mol): 170.97 Numéro MDL: MFCD09800640 Clé InChI: FBPUCVAAEPPEMG-UHFFFAOYNA-N Synonyme: 2-bromo-3-fluoropropionic acid,acmc-20ao2z,3-fluoro-2-bromo-propionic acid CID PubChem: 316511 Nom IUPAC: 2-bromo-3-fluoropropanoic acid SMILES: OC(=O)C(Br)CF

Poids moléculaire (g/mol) 170.97
Synonyme 2-bromo-3-fluoropropionic acid,acmc-20ao2z,3-fluoro-2-bromo-propionic acid
Numéro MDL MFCD09800640
CAS 16652-36-1
CID PubChem 316511
Nom IUPAC 2-bromo-3-fluoropropanoic acid
Clé InChI FBPUCVAAEPPEMG-UHFFFAOYNA-N
SMILES OC(=O)C(Br)CF
Formule moléculaire C3H4BrFO2
15

Ethyl 2-bromoisovalerate, 97%

CAS: 609-12-1 Formule moléculaire: C7H13BrO2 Poids moléculaire (g/mol): 209.083 Numéro MDL: MFCD00026855 Clé InChI: WNFUWONOILPKNX-UHFFFAOYSA-N Synonyme: 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 CID PubChem: 79068 Nom IUPAC: ethyl 2-bromo-3-methylbutanoate SMILES: CCOC(=O)C(C(C)C)Br

Poids moléculaire (g/mol) 209.083
Synonyme 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
Numéro MDL MFCD00026855
CAS 609-12-1
CID PubChem 79068
Nom IUPAC ethyl 2-bromo-3-methylbutanoate
Clé InChI WNFUWONOILPKNX-UHFFFAOYSA-N
SMILES CCOC(=O)C(C(C)C)Br
Formule moléculaire C7H13BrO2