2-fluoro-3-methylbutanoic acid

Modify Date: 2024-01-18 18:36:03

2-fluoro-3-methylbutanoic acid Structure
2-fluoro-3-methylbutanoic acid structure
 Common Name 2-fluoro-3-methylbutanoic acid
CAS Number 1578-62-7 Molecular Weight 120.12200
Density 1.073g/cm3 Boiling Point 182ºC at 760mmHg
Molecular Formula C5H9FO2 Melting Point 35-40ºC
MSDS N/A Flash Point 63.9ºC

 Names

Name 2-Fluoro-3-methylbutanoic acid
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.073g/cm3
Boiling Point 182ºC at 760mmHg
Melting Point 35-40ºC
Molecular Formula C5H9FO2
Molecular Weight 120.12200
Flash Point 63.9ºC
Exact Mass 120.05900
PSA 37.30000
LogP 1.06510
Vapour Pressure 0.383mmHg at 25°C
Index of Refraction 1.395

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
ET3400000
CHEMICAL NAME :
Butyric acid, 2-fluoro-3-methyl-
CAS REGISTRY NUMBER :
1578-62-7
LAST UPDATED :
197901
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C5-H9-F-O2
MOLECULAR WEIGHT :
120.14
WISWESSER LINE NOTATION :
QVYFY1&1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
180 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#02943

 Safety Information

HS Code 2915900090

 Synthetic Route

Butanoic acid, 2-fluoro-3-Methyl-, Methyl ester structure

Butanoic acid, ...

CAS#:135359-27-2

~92%

2-fluoro-3-methylbutanoic acid Structure

2-fluoro-3-meth...

CAS#:1578-62-7
Literature: Fritz-Langhals, Elke; Schuetz, Gabi Tetrahedron Letters, 1993 , vol. 34, # 2 p. 293 - 296
2-Hydroxy-3-methylbutyric acid methyl ester structure

2-Hydroxy-3-met...

CAS#:17417-00-4

~%

2-fluoro-3-methylbutanoic acid Structure

2-fluoro-3-meth...

CAS#:1578-62-7
Literature: Fritz-Langhals, Elke; Schuetz, Gabi Tetrahedron Letters, 1993 , vol. 34, # 2 p. 293 - 296
(S)-(-)-methyl 2-methanesulfonyloxy-3-methylbutanoate structure

(S)-(-)-methyl ...

CAS#:146746-20-5

~%

2-fluoro-3-methylbutanoic acid Structure

2-fluoro-3-meth...

CAS#:1578-62-7
Literature: Fritz-Langhals, Elke; Schuetz, Gabi Tetrahedron Letters, 1993 , vol. 34, # 2 p. 293 - 296
DL-Valine structure

DL-Valine

CAS#:516-06-3

~%

2-fluoro-3-methylbutanoic acid Structure

2-fluoro-3-meth...

CAS#:1578-62-7
Literature: Olah,G.A.; Welch,J. Synthesis, 1974 , p. 652
ethyl 2-(ethoxycarbonimidoyl)-2-fluoro-3-methyl-butanoate structure

ethyl 2-(ethoxy...

CAS#:18283-04-0

~%

2-fluoro-3-methylbutanoic acid Structure

2-fluoro-3-meth...

CAS#:1578-62-7
Literature: Gershon,H. et al. Journal of Medicinal Chemistry, 1967 , vol. 10, p. 536 - 541
Butanoic acid,2-cyano-3-methyl-, ethyl ester structure

Butanoic acid,2...

CAS#:3213-49-8

~%

2-fluoro-3-methylbutanoic acid Structure

2-fluoro-3-meth...

CAS#:1578-62-7
Literature: Gershon,H. et al. Journal of Medicinal Chemistry, 1967 , vol. 10, p. 536 - 541

 Customs

HS Code 2915900090
Summary 2915900090 other saturated acyclic monocarboxylic acids and their anhydrides, halides, peroxides and peroxyacids; their halogenated, sulphonated, nitrated or nitrosated derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) MFN tariff:5.5% General tariff:30.0%

 Synonyms

2-fluoro-3-methylbutanoic acid
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