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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61 – 75 of 562 results

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

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(S)-(-)-2-Bromopropionic acid, 98%, >85% ee

CAS: 32644-15-8 Molecular Formula: C₃H₅BrO₂ Molecular Weight (g/mol): 152.98 MDL Number: MFCD00137325 InChI Key: MONMFXREYOKQTI-REOHCLBHSA-N Synonym: s---2-bromopropionic acid,s-2-bromopropionic acid,2s-2-bromopropanoic acid,s-2-bromopropanoic acid,l-2-bromopropionic acid,s---2-bromopropionicacid,l-alpha-bromopropionic acid,2s---2-bromopropionic acid,s-alpha-bromopropionic acid PubChem CID: 642232 IUPAC Name: (2S)-2-bromopropanoic acid SMILES: CC(C(=O)O)Br

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PubChem CID	642232
CAS	32644-15-8
Molecular Weight (g/mol)	152.98
MDL Number	MFCD00137325
SMILES	CC(C(=O)O)Br
Synonym	s---2-bromopropionic acid,s-2-bromopropionic acid,2s-2-bromopropanoic acid,s-2-bromopropanoic acid,l-2-bromopropionic acid,s---2-bromopropionicacid,l-alpha-bromopropionic acid,2s---2-bromopropionic acid,s-alpha-bromopropionic acid
IUPAC Name	(2S)-2-bromopropanoic acid
InChI Key	MONMFXREYOKQTI-REOHCLBHSA-N
Molecular Formula	C₃H₅BrO₂

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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

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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

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Ethyl 2-bromo-3-methylbutyrate, 95%

CAS: 609-12-1 Molecular Formula: C₇H₁₃BrO₂ Molecular Weight (g/mol): 209.08 InChI Key: WNFUWONOILPKNX-UHFFFAOYSA-N Synonym: ethyl 2-bromoisovalerate,ethyl 2-bromo-3-methylbutyrate,butanoic acid, 2-bromo-3-methyl-, ethyl ester,ethyl .alpha.-bromoisovalerate,2-bromoisovaleric acid ethyl ester,butyric acid, 2-bromo-3-methyl-, ethyl ester,ethyl 2-bromo-3-methyl-butanoate,.alpha.-bromoisovaleric acid ethyl ester,ethyl,a-bromoisovalerate,ethyl 2-bromo isovalerate PubChem CID: 79068 IUPAC Name: ethyl 2-bromo-3-methylbutanoate SMILES: CCOC(=O)C(C(C)C)Br

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PubChem CID	79068
CAS	609-12-1
Molecular Weight (g/mol)	209.08
SMILES	CCOC(=O)C(C(C)C)Br
Synonym	ethyl 2-bromoisovalerate,ethyl 2-bromo-3-methylbutyrate,butanoic acid, 2-bromo-3-methyl-, ethyl ester,ethyl .alpha.-bromoisovalerate,2-bromoisovaleric acid ethyl ester,butyric acid, 2-bromo-3-methyl-, ethyl ester,ethyl 2-bromo-3-methyl-butanoate,.alpha.-bromoisovaleric acid ethyl ester,ethyl,a-bromoisovalerate,ethyl 2-bromo isovalerate
IUPAC Name	ethyl 2-bromo-3-methylbutanoate
InChI Key	WNFUWONOILPKNX-UHFFFAOYSA-N
Molecular Formula	C₇H₁₃BrO₂

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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

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Dimethyl fluoromalonate, 97%

CAS: 344-14-9 Molecular Formula: C5H7FO4 Molecular Weight (g/mol): 150.105 MDL Number: MFCD00054680 InChI Key: ZVXHZSXYHFBIEW-UHFFFAOYSA-N PubChem CID: 2737111 IUPAC Name: dimethyl 2-fluoropropanedioate SMILES: COC(=O)C(C(=O)OC)F

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PubChem CID	2737111
CAS	344-14-9
Molecular Weight (g/mol)	150.105
MDL Number	MFCD00054680
SMILES	COC(=O)C(C(=O)OC)F
IUPAC Name	dimethyl 2-fluoropropanedioate
InChI Key	ZVXHZSXYHFBIEW-UHFFFAOYSA-N
Molecular Formula	C5H7FO4

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n-Propyl bromoacetate, 97%

CAS: 35223-80-4 Molecular Formula: C5H9BrO2 Molecular Weight (g/mol): 181.03 MDL Number: MFCD00075247 InChI Key: ISYUCUGTDNJIHV-UHFFFAOYSA-N Synonym: propyl bromoacetate,n-propyl bromoacetate,acetic acid, bromo-, propyl ester,acmc-1ajeq,bromoacetic acid propyl ester,bromo-acetic acid propyl ester,acetic acid, 2-bromo-,propyl ester PubChem CID: 141981 IUPAC Name: propyl 2-bromoacetate SMILES: CCCOC(=O)CBr

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Specifications

PubChem CID	141981
CAS	35223-80-4
Molecular Weight (g/mol)	181.03
MDL Number	MFCD00075247
SMILES	CCCOC(=O)CBr
Synonym	propyl bromoacetate,n-propyl bromoacetate,acetic acid, bromo-, propyl ester,acmc-1ajeq,bromoacetic acid propyl ester,bromo-acetic acid propyl ester,acetic acid, 2-bromo-,propyl ester
IUPAC Name	propyl 2-bromoacetate
InChI Key	ISYUCUGTDNJIHV-UHFFFAOYSA-N
Molecular Formula	C5H9BrO2

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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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

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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

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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

Lithium trifluoroacetate monohydrate, 97%

CAS: 2923-17-3 Molecular Formula: C2F3LiO2 Molecular Weight (g/mol): 119.96 MDL Number: MFCD00013216,MFCD00149663 InChI Key: HSFDLPWPRRSVSM-UHFFFAOYSA-M Synonym: lithium trifluoroacetate,acetic acid, trifluoro-, lithium salt,lithium 2,2,2-trifluoroacetate,lithiumtrifluoroacetate,acmc-1cfal,lithotab trifluoroacetate,acetic acid, 2,2,2-trifluoro-, lithium salt 1:1,lithium trifluoroacetate, monohydrate,lithium 1+ trifluoroacetate,lithio 2,2,2-trifluoroacetate PubChem CID: 23661853 IUPAC Name: lithium;2,2,2-trifluoroacetate SMILES: [Li+].[O-]C(=O)C(F)(F)F

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PubChem CID	23661853
CAS	2923-17-3
Molecular Weight (g/mol)	119.96
MDL Number	MFCD00013216,MFCD00149663
SMILES	[Li+].[O-]C(=O)C(F)(F)F
Synonym	lithium trifluoroacetate,acetic acid, trifluoro-, lithium salt,lithium 2,2,2-trifluoroacetate,lithiumtrifluoroacetate,acmc-1cfal,lithotab trifluoroacetate,acetic acid, 2,2,2-trifluoro-, lithium salt 1:1,lithium trifluoroacetate, monohydrate,lithium 1+ trifluoroacetate,lithio 2,2,2-trifluoroacetate
IUPAC Name	lithium;2,2,2-trifluoroacetate
InChI Key	HSFDLPWPRRSVSM-UHFFFAOYSA-M
Molecular Formula	C2F3LiO2

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

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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

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(+/-)-2-Chloropropionic acid, 94%

CAS: 598-78-7 Molecular Formula: C3H5ClO2 Molecular Weight (g/mol): 108.52 MDL Number: MFCD00004224 InChI Key: GAWAYYRQGQZKCR-UHFFFAOYNA-N Synonym: 2-chloropropionic acid,propanoic acid, 2-chloro,propionic acid, 2-chloro,alpha-chloropropionic acid,alpha-monochloropropionic acid,propionic acid, alpha-chloro,.alpha.-chloropropionic acid,propionic acid, .alpha.-chloro,chloropropionic acid,propanoic acid, chloro PubChem CID: 11734 IUPAC Name: 2-chloropropanoic acid SMILES: CC(Cl)C(O)=O

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PubChem CID	11734
CAS	598-78-7
Molecular Weight (g/mol)	108.52
MDL Number	MFCD00004224
SMILES	CC(Cl)C(O)=O
Synonym	2-chloropropionic acid,propanoic acid, 2-chloro,propionic acid, 2-chloro,alpha-chloropropionic acid,alpha-monochloropropionic acid,propionic acid, alpha-chloro,.alpha.-chloropropionic acid,propionic acid, .alpha.-chloro,chloropropionic acid,propanoic acid, chloro
IUPAC Name	2-chloropropanoic acid
InChI Key	GAWAYYRQGQZKCR-UHFFFAOYNA-N
Molecular Formula	C3H5ClO2

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Diethyl bromomalonate, 90+%

CAS: 685-87-0 Molecular Formula: C7H11BrO4 Molecular Weight (g/mol): 239.065 MDL Number: MFCD00009138 InChI Key: FNJVDWXUKLTFFL-UHFFFAOYSA-N Synonym: diethyl bromomalonate,diethyl 2-bromomalonate,bromomalonic acid diethyl ester,ethyl bromomalonate,diethylbromomalonate,propanedioic acid, bromo-, diethyl ester,1,3-diethyl 2-bromopropanedioate,diethyl bromopropanedioate,malonic acid, bromo-, diethyl ester,propanedioic acid, 2-bromo-, 1,3-diethyl ester PubChem CID: 69637 IUPAC Name: diethyl 2-bromopropanedioate SMILES: CCOC(=O)C(C(=O)OCC)Br

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PubChem CID	69637
CAS	685-87-0
Molecular Weight (g/mol)	239.065
MDL Number	MFCD00009138
SMILES	CCOC(=O)C(C(=O)OCC)Br
Synonym	diethyl bromomalonate,diethyl 2-bromomalonate,bromomalonic acid diethyl ester,ethyl bromomalonate,diethylbromomalonate,propanedioic acid, bromo-, diethyl ester,1,3-diethyl 2-bromopropanedioate,diethyl bromopropanedioate,malonic acid, bromo-, diethyl ester,propanedioic acid, 2-bromo-, 1,3-diethyl ester
IUPAC Name	diethyl 2-bromopropanedioate
InChI Key	FNJVDWXUKLTFFL-UHFFFAOYSA-N
Molecular Formula	C7H11BrO4

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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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

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Diethyl bromomalonate, 90+%

CAS: 685-87-0 Molecular Formula: C₇H₁₁BrO₄ Molecular Weight (g/mol): 239.07 MDL Number: MFCD00009138 InChI Key: FNJVDWXUKLTFFL-UHFFFAOYSA-N Synonym: diethyl bromomalonate,diethyl 2-bromomalonate,bromomalonic acid diethyl ester,ethyl bromomalonate,diethylbromomalonate,propanedioic acid, bromo-, diethyl ester,1,3-diethyl 2-bromopropanedioate,diethyl bromopropanedioate,malonic acid, bromo-, diethyl ester,propanedioic acid, 2-bromo-, 1,3-diethyl ester PubChem CID: 69637 IUPAC Name: diethyl 2-bromopropanedioate SMILES: CCOC(=O)C(C(=O)OCC)Br

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Specifications

PubChem CID	69637
CAS	685-87-0
Molecular Weight (g/mol)	239.07
MDL Number	MFCD00009138
SMILES	CCOC(=O)C(C(=O)OCC)Br
Synonym	diethyl bromomalonate,diethyl 2-bromomalonate,bromomalonic acid diethyl ester,ethyl bromomalonate,diethylbromomalonate,propanedioic acid, bromo-, diethyl ester,1,3-diethyl 2-bromopropanedioate,diethyl bromopropanedioate,malonic acid, bromo-, diethyl ester,propanedioic acid, 2-bromo-, 1,3-diethyl ester
IUPAC Name	diethyl 2-bromopropanedioate
InChI Key	FNJVDWXUKLTFFL-UHFFFAOYSA-N
Molecular Formula	C₇H₁₁BrO₄

Alpha-halocarboxylic acids and derivatives

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