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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 201 résultats
1

LiChropur™ Ammonium Trifluoroacetate, MilliporeSigma™ Supelco™

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

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

Lead(II) trifluoroacetate hemihydrate, Thermo Scientific Chemicals

CAS: 4146-73-0 Formule moléculaire: C4F6O4Pb Poids moléculaire (g/mol): 433.23 Numéro MDL: MFCD00061594 Clé InChI: XVULNTYAIWEMSW-UHFFFAOYSA-L Synonyme: lead trifluoroacetate,lead ii 2,2,2-trifluoroacetate,acmc-1asut,bis trifluoroacetoxy lead ii CID PubChem: 71311182 Nom IUPAC: lead(2+);2,2,2-trifluoroacetate SMILES: C(=O)(C(F)(F)F)[O-].C(=O)(C(F)(F)F)[O-].[Pb+2]

Poids moléculaire (g/mol) 433.23
Synonyme lead trifluoroacetate,lead ii 2,2,2-trifluoroacetate,acmc-1asut,bis trifluoroacetoxy lead ii
Numéro MDL MFCD00061594
CAS 4146-73-0
CID PubChem 71311182
Nom IUPAC lead(2+);2,2,2-trifluoroacetate
Clé InChI XVULNTYAIWEMSW-UHFFFAOYSA-L
SMILES C(=O)(C(F)(F)F)[O-].C(=O)(C(F)(F)F)[O-].[Pb+2]
Formule moléculaire C4F6O4Pb
3

Ethyl 1-bromocyclobutanecarboxylate, 96%

CAS: 35120-18-4 Formule moléculaire: C7H11BrO2 Poids moléculaire (g/mol): 207.06 Numéro MDL: MFCD00001322 Clé InChI: UTVNSHXHFRIXMM-UHFFFAOYSA-N Synonyme: ethyl 1-bromocyclobutanecarboxylate,ethyl alpha-bromocyclobutanecarboxylate,1-bromo-cyclobutanecarboxylic acid ethyl ester,cyclobutanecarboxylic acid, 1-bromo-, ethyl ester,1-bromocyclobutanecarboxylic acid ethyl ester,ethyl .alpha.-bromocyclobutanecarboxylate,acmc-1cswe,ethyl abromocyclobutanecarboxylate,ethyl-1-bromocyclobutanecarboxylate,1-ethoxycarbonyl-1-bromocyclobutane CID PubChem: 97595 Nom IUPAC: ethyl 1-bromocyclobutane-1-carboxylate SMILES: CCOC(=O)C1(CCC1)Br

Poids moléculaire (g/mol) 207.06
Synonyme ethyl 1-bromocyclobutanecarboxylate,ethyl alpha-bromocyclobutanecarboxylate,1-bromo-cyclobutanecarboxylic acid ethyl ester,cyclobutanecarboxylic acid, 1-bromo-, ethyl ester,1-bromocyclobutanecarboxylic acid ethyl ester,ethyl .alpha.-bromocyclobutanecarboxylate,acmc-1cswe,ethyl abromocyclobutanecarboxylate,ethyl-1-bromocyclobutanecarboxylate,1-ethoxycarbonyl-1-bromocyclobutane
Numéro MDL MFCD00001322
CAS 35120-18-4
CID PubChem 97595
Nom IUPAC ethyl 1-bromocyclobutane-1-carboxylate
Clé InChI UTVNSHXHFRIXMM-UHFFFAOYSA-N
SMILES CCOC(=O)C1(CCC1)Br
Formule moléculaire C7H11BrO2
4

Ethyl chloroacetate, 99%

CAS: 105-39-5 Numéro MDL: MFCD00000932 Clé InChI: VEUUMBGHMNQHGO-UHFFFAOYSA-N Synonyme: ethyl chloroacetate,ethyl chloracetate,ethyl monochloroacetate,acetic acid, chloro-, ethyl ester,chloroacetic acid ethyl ester,ethyl monochloracetate,ethyl chloroethanoate,ethyl alpha-chloroacetate,2-chloroacetic acid ethyl ester,unii-6h07teh4tf CID PubChem: 7751 Nom IUPAC: ethyl 2-chloroacetate SMILES: CCOC(=O)CCl

Synonyme ethyl chloroacetate,ethyl chloracetate,ethyl monochloroacetate,acetic acid, chloro-, ethyl ester,chloroacetic acid ethyl ester,ethyl monochloracetate,ethyl chloroethanoate,ethyl alpha-chloroacetate,2-chloroacetic acid ethyl ester,unii-6h07teh4tf
Numéro MDL MFCD00000932
CAS 105-39-5
CID PubChem 7751
Nom IUPAC ethyl 2-chloroacetate
Clé InChI VEUUMBGHMNQHGO-UHFFFAOYSA-N
SMILES CCOC(=O)CCl
5

Ethyl 2-bromoisobutyrate, 98%

CAS: 600-00-0 Formule moléculaire: C6H11BrO2 Poids moléculaire (g/mol): 195.06 Numéro MDL: MFCD00000123 Clé InChI: IOLQWGVDEFWYNP-UHFFFAOYSA-N Synonyme: 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 CID PubChem: 11745 Nom IUPAC: ethyl 2-bromo-2-methylpropanoate SMILES: CCOC(=O)C(C)(C)Br

Poids moléculaire (g/mol) 195.06
Synonyme 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
Numéro MDL MFCD00000123
CAS 600-00-0
CID PubChem 11745
Nom IUPAC ethyl 2-bromo-2-methylpropanoate
Clé InChI IOLQWGVDEFWYNP-UHFFFAOYSA-N
SMILES CCOC(=O)C(C)(C)Br
Formule moléculaire C6H11BrO2
6

DL-Ethyl 2-bromopropionate, 99%

CAS: 535-11-5 Formule moléculaire: C5H9BrO2 Poids moléculaire (g/mol): 181.03 Numéro MDL: MFCD00000144 Clé InChI: ARFLASKVLJTEJD-UHFFFAOYNA-N Synonyme: 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 CID PubChem: 79040 Nom IUPAC: ethyl 2-bromopropanoate SMILES: CCOC(=O)C(C)Br

Poids moléculaire (g/mol) 181.03
Synonyme 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
Numéro MDL MFCD00000144
CAS 535-11-5
CID PubChem 79040
Nom IUPAC ethyl 2-bromopropanoate
Clé InChI ARFLASKVLJTEJD-UHFFFAOYNA-N
SMILES CCOC(=O)C(C)Br
Formule moléculaire C5H9BrO2
7

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

CAS: 615-83-8 Formule moléculaire: C7H13BrO2 Poids moléculaire (g/mol): 209.08 Numéro MDL: MFCD00000159 Clé InChI: ORSIRXYHFPHWTN-UHFFFAOYSA-N CID PubChem: 79071 Nom IUPAC: ethyl 2-bromopentanoate SMILES: CCCC(C(=O)OCC)Br

Poids moléculaire (g/mol) 209.08
Numéro MDL MFCD00000159
CAS 615-83-8
CID PubChem 79071
Nom IUPAC ethyl 2-bromopentanoate
Clé InChI ORSIRXYHFPHWTN-UHFFFAOYSA-N
SMILES CCCC(C(=O)OCC)Br
Formule moléculaire C7H13BrO2
8

Ethyl oxalyl chloride, 98%

CAS: 4755-77-5 Formule moléculaire: C4H5ClO3 Poids moléculaire (g/mol): 136.53 Numéro MDL: MFCD00000706 Clé InChI: OWZFULPEVHKEKS-UHFFFAOYSA-N Synonyme: 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 CID PubChem: 20884 Nom IUPAC: ethyl 2-chloro-2-oxoacetate SMILES: CCOC(=O)C(=O)Cl

Poids moléculaire (g/mol) 136.53
Synonyme 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
Numéro MDL MFCD00000706
CAS 4755-77-5
CID PubChem 20884
Nom IUPAC ethyl 2-chloro-2-oxoacetate
Clé InChI OWZFULPEVHKEKS-UHFFFAOYSA-N
SMILES CCOC(=O)C(=O)Cl
Formule moléculaire C4H5ClO3
9

Ethyl trifluoroacetate, 99%

CAS: 383-63-1 Formule moléculaire: C4H5F3O2 Poids moléculaire (g/mol): 142.08 Numéro MDL: MFCD00000419 Clé InChI: STSCVKRWJPWALQ-UHFFFAOYSA-N Synonyme: 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 CID PubChem: 9794 Nom IUPAC: ethyl 2,2,2-trifluoroacetate SMILES: CCOC(=O)C(F)(F)F

Poids moléculaire (g/mol) 142.08
Synonyme 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
Numéro MDL MFCD00000419
CAS 383-63-1
CID PubChem 9794
Nom IUPAC ethyl 2,2,2-trifluoroacetate
Clé InChI STSCVKRWJPWALQ-UHFFFAOYSA-N
SMILES CCOC(=O)C(F)(F)F
Formule moléculaire C4H5F3O2
10

Iodoacetic acid, 97%

CAS: 64-69-7 Formule moléculaire: C2H3IO2 Poids moléculaire (g/mol): 185.95 Numéro MDL: MFCD00002685 Clé InChI: JDNTWHVOXJZDSN-UHFFFAOYSA-N Synonyme: iodoacetic acid,acetic acid, iodo,iodoacetate,monoiodoacetic acid,monoiodoacetate,monoiodine acetate,iodoaceticacid,iodoethanoic acid,acetic acid, 2-iodo,kyselina jodoctova CID PubChem: 5240 ChEBI: CHEBI:74571 Nom IUPAC: 2-iodoacetic acid SMILES: C(C(=O)O)I

Poids moléculaire (g/mol) 185.95
Synonyme iodoacetic acid,acetic acid, iodo,iodoacetate,monoiodoacetic acid,monoiodoacetate,monoiodine acetate,iodoaceticacid,iodoethanoic acid,acetic acid, 2-iodo,kyselina jodoctova
Numéro MDL MFCD00002685
CAS 64-69-7
CID PubChem 5240
ChEBI CHEBI:74571
Nom IUPAC 2-iodoacetic acid
Clé InChI JDNTWHVOXJZDSN-UHFFFAOYSA-N
SMILES C(C(=O)O)I
Formule moléculaire C2H3IO2
11

Difluoroacetic acid, 98%

CAS: 381-73-7 Formule moléculaire: C2H2F2O2 Poids moléculaire (g/mol): 96.03 Numéro MDL: MFCD00004220 Clé InChI: PBWZKZYHONABLN-UHFFFAOYSA-N Synonyme: difluoroacetic acid,acetic acid, difluoro,difluoressigsaeure,1,1-difluoroacetic acid,unii-zqk1c95k3n,zqk1c95k3n,acetic acid, 2,2-difluoro,difluoroaceticacid,difluoracetic acid,difluoro-acetic acid CID PubChem: 9788 ChEBI: CHEBI:23716 Nom IUPAC: 2,2-difluoroacetic acid SMILES: C(C(=O)O)(F)F

Poids moléculaire (g/mol) 96.03
Synonyme difluoroacetic acid,acetic acid, difluoro,difluoressigsaeure,1,1-difluoroacetic acid,unii-zqk1c95k3n,zqk1c95k3n,acetic acid, 2,2-difluoro,difluoroaceticacid,difluoracetic acid,difluoro-acetic acid
Numéro MDL MFCD00004220
CAS 381-73-7
CID PubChem 9788
ChEBI CHEBI:23716
Nom IUPAC 2,2-difluoroacetic acid
Clé InChI PBWZKZYHONABLN-UHFFFAOYSA-N
SMILES C(C(=O)O)(F)F
Formule moléculaire C2H2F2O2
12

Iodoacetic acid, sodium salt, 99%

CAS: 305-53-3 Formule moléculaire: C2H2INaO2 Poids moléculaire (g/mol): 207.93 Numéro MDL: MFCD00002686 Clé InChI: AGDSCTQQXMDDCV-UHFFFAOYSA-M Synonyme: sodium iodoacetate,iodoacetic acid sodium salt,acetic acid, iodo-, sodium salt,sodium 2-iodoacetate,sodium monoiodoacetate,iodoacetate, sodium salt,sodium iodacetate,iodoacetic acid, sodium salt,unii-07814f2qri,ccris 9232 CID PubChem: 5239 Nom IUPAC: sodium;2-iodoacetate SMILES: C(C(=O)[O-])I.[Na+]

Poids moléculaire (g/mol) 207.93
Synonyme sodium iodoacetate,iodoacetic acid sodium salt,acetic acid, iodo-, sodium salt,sodium 2-iodoacetate,sodium monoiodoacetate,iodoacetate, sodium salt,sodium iodacetate,iodoacetic acid, sodium salt,unii-07814f2qri,ccris 9232
Numéro MDL MFCD00002686
CAS 305-53-3
CID PubChem 5239
Nom IUPAC sodium;2-iodoacetate
Clé InChI AGDSCTQQXMDDCV-UHFFFAOYSA-M
SMILES C(C(=O)[O-])I.[Na+]
Formule moléculaire C2H2INaO2
13

Ethyl fluoroacetate, 97%, Thermo Scientific Chemicals

CAS: 459-72-3 Formule moléculaire: C4H7FO2 Poids moléculaire (g/mol): 106.1 Numéro MDL: MFCD00000450 Clé InChI: VCYZVXRKYPKDQB-UHFFFAOYSA-N Synonyme: ethyl fluoroacetate,ethyl monofluoroacetate,acetic acid, fluoro-, ethyl ester,fluoroacetic acid ethyl ester,unii-aus1l6um7b,ethylester kyseliny fluoroctove,monofluoroacetic acid ethyl ester,aus1l6um7b,ethylester kyseliny fluoroctove czech,acetic acid, 2-fluoro-, ethyl ester CID PubChem: 9988 Nom IUPAC: ethyl 2-fluoroacetate SMILES: CCOC(=O)CF

Poids moléculaire (g/mol) 106.1
Synonyme ethyl fluoroacetate,ethyl monofluoroacetate,acetic acid, fluoro-, ethyl ester,fluoroacetic acid ethyl ester,unii-aus1l6um7b,ethylester kyseliny fluoroctove,monofluoroacetic acid ethyl ester,aus1l6um7b,ethylester kyseliny fluoroctove czech,acetic acid, 2-fluoro-, ethyl ester
Numéro MDL MFCD00000450
CAS 459-72-3
CID PubChem 9988
Nom IUPAC ethyl 2-fluoroacetate
Clé InChI VCYZVXRKYPKDQB-UHFFFAOYSA-N
SMILES CCOC(=O)CF
Formule moléculaire C4H7FO2
14

tert-Butyl bromoacetate, 99%

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
15

Ethyl bromoacetate, 98%

CAS: 105-36-2 Numéro MDL: MFCD00000191 Clé InChI: PQJJJMRNHATNKG-UHFFFAOYSA-N Synonyme: ethyl bromoacetate,antol,ethyl bromacetate,bromoacetic acid ethyl ester,ethyl monobromoacetate,acetic acid, bromo-, ethyl ester,ethoxycarbonylmethyl bromide,bromoacetic acid, ethyl ester,ethyl alpha-bromoacetate,ethyl bromo acetate CID PubChem: 7748 Nom IUPAC: ethyl 2-bromoacetate SMILES: CCOC(=O)CBr

Synonyme ethyl bromoacetate,antol,ethyl bromacetate,bromoacetic acid ethyl ester,ethyl monobromoacetate,acetic acid, bromo-, ethyl ester,ethoxycarbonylmethyl bromide,bromoacetic acid, ethyl ester,ethyl alpha-bromoacetate,ethyl bromo acetate
Numéro MDL MFCD00000191
CAS 105-36-2
CID PubChem 7748
Nom IUPAC ethyl 2-bromoacetate
Clé InChI PQJJJMRNHATNKG-UHFFFAOYSA-N
SMILES CCOC(=O)CBr