CAS 565-74-2|UNII:M69LGV465C

Introduction：Basic information about CAS 565-74-2|UNII:M69LGV465C, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. Chemical & Physical Properties
3. Toxicological Information
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
4. Safety Information
5. Customs
6. Articles4
7. Synonyms

Common Name	UNII:M69LGV465C
CAS Number	565-74-2	Molecular Weight	181.028
Density	1.5±0.1 g/cm3	Boiling Point	230.0±0.0 °C at 760 mmHg
Molecular Formula	C₅H₉BrO₂	Melting Point	39-42 °C(lit.)
MSDS	ChineseUSA	Flash Point	107.2±0.0 °C
Symbol	GHS05, GHS07	Signal Word	Danger

Names

Name	2-Bromo-3-methylbutyric acid
Synonym	More Synonyms

Chemical & Physical Properties

Density	1.5±0.1 g/cm3
Boiling Point	230.0±0.0 °C at 760 mmHg
Melting Point	39-42 °C(lit.)
Molecular Formula	C₅H₉BrO₂
Molecular Weight	181.028
Flash Point	107.2±0.0 °C
Exact Mass	179.978592
PSA	37.30000
LogP	1.73
Vapour Pressure	0.0±0.9 mmHg at 25°C
Index of Refraction	1.487
InChIKey	UEBARDWJXBGYEJ-UHFFFAOYSA-N
SMILES	CC(C)C(Br)C(=O)O

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: ES8055000

CHEMICAL NAME :: Butyric acid, 2-bromo-3-methyl-

CAS REGISTRY NUMBER :: 565-74-2

LAST UPDATED :: 199710

DATA ITEMS CITED :: 5

MOLECULAR FORMULA :: C5-H9-Br-O2

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 769 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: EPASR* United States Environmental Protection Agency, Office of Pesticides and Toxic Substances. (U.S. Environmental Protection Agency, 401 M St., SW, Washington, DC 20460) History unknown. Volume(issue)/page/year: 8EHQ-0188-0714

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 1410 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: EPASR* United States Environmental Protection Agency, Office of Pesticides and Toxic Substances. (U.S. Environmental Protection Agency, 401 M St., SW, Washington, DC 20460) History unknown. Volume(issue)/page/year: 8EHQ-0188-0714 ** OTHER MULTIPLE DOSE TOXICITY DATA **

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 17600 mg/kg/4W-I

TOXIC EFFECTS :: Related to Chronic Data - death

REFERENCE :: EPASR* United States Environmental Protection Agency, Office of Pesticides and Toxic Substances. (U.S. Environmental Protection Agency, 401 M St., SW, Washington, DC 20460) History unknown. Volume(issue)/page/year: 8EHQ-0188-0714

Safety Information

Symbol	GHS05, GHS07
Signal Word	Danger
Hazard Statements	H302 + H312-H314
Precautionary Statements	P280-P305 + P351 + P338-P310
Personal Protective Equipment	Eyeshields;Faceshields;full-face particle respirator type N100 (US);Gloves;respirator cartridge type N100 (US);type P1 (EN143) respirator filter;type P3 (EN 143) respirator cartridges
Hazard Codes	C:Corrosive;
Risk Phrases	R21/22;R34
Safety Phrases	S26-S36/37/39-S45
RIDADR	UN 3261 8/PG 2
WGK Germany	3
RTECS	ES8055000
Packaging Group	III
Hazard Class	8
HS Code	29159080

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%

Articles4

Glutathione conjugation of the alpha-bromoisovaleric acid enantiomers in the rat in vivo and its stereoselectivity. Pharmacokinetics of biliary and urinary excretion of the glutathione conjugate and the mercapturate.

Biochem. Pharmacol. 38(22) , 3957-62, (1989)

The glutathione (GSH) conjugation of (R)-and (S)-alpha-bromoisovaleric acid (BI) in the rat in vivo, and its stereoselectivity, have been characterized. After administration of racemic [1-14C]BI two r...

Stereoselectivity of rat liver glutathione transferase isoenzymes for alpha-bromoisovaleric acid and alpha-bromoisovalerylurea enantiomers.

Biochem. J. 252(1) , 137-42, (1988)

The stereoselectivity of purified rat GSH transferases towards alpha-bromoisovaleric acid (BI) and its amide derivative alpha-bromoisovalerylurea (BIU) was investigated. GSH transferase 2-2 was the on...

Stereoselective conjugation of 2-bromocarboxylic acids and their urea derivatives by rat liver glutathione transferase 12-12 and some other isoforms.

Biochem. Pharmacol. 44(7) , 1249-53, (1992)

Glutathione (GSH) conjugation of the separate enantiomers of five 2-bromocarboxylic acids and some of their urea derivatives by rat liver GSH transferases (GSTs) was studied. The liver cytosolic fract...

Synonyms

DL-2-Bromoisovaleric acid

2-Bromo-3-methylbutyric acid

Butanoic acid, 2-bromo-3-methyl-

dl-2-bromo-3-methylbutyric acid

2-BROMOISOVALERIC ACID

(±)-2-BROMO-3-METHYLBUTYRIC ACID

α-Bromoisovaleric acid

A-BROMOISOVALERIC ACID

2-broMo acid

EINECS 209-291-0

MFCD00004210

Isovaleric acid, α-bromo-

2-BROMOISOPENTANOIC ACID

2-Bromo-3-methylbutanoic acid

2-Bromo-iso-acid

a-Bromoisopentanoic acid

UNII:M69LGV465C

Recommended......