HCID11268

2-Bromoisovaleric acid

2-bromo-3-methylbutanoic acid

C5H9BrO2181.03 g/molCAS 565-74-2

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IDENTITY

结构与身份

标准SMILES: CC(C)C(Br)C(=O)O
InChIKey: UEBARDWJXBGYEJ-UHFFFAOYSA-N
分子式: C5H9BrO2
平均分子量: 181.03 g/mol
单同位素质量: 179.97859

COMPUTED

结构计算性质

已同步

XLogP: 1.9
极性表面积: 37.3 Å²
氢键供体: 1
氢键受体: 2
可旋转键: 2
重原子: 8
形式电荷: 0
复杂度: 90

GHS

GHS分类

GHS Classification

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (93.8%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 48 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

HAZARDS

危害信息

Regulatory Information

Chemical: Butanoic acid, 2-bromo-3-methyl-

Status: Active Update: 01-04-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/30273

Hazard Classes and Categories

Acute Tox. 4 (100%)；Acute Tox. 4 (93.8%)；Skin Corr. 1B (100%)

REGULATORY

法规信息

Regulatory Information

Chemical: Butanoic acid, 2-bromo-3-methyl-

Status: Active Update: 01-04-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/30273

USES

用途与制造

General Manufacturing Information

Butanoic acid, 2-bromo-3-methyl-: ACTIVE

ALIASES

名称与别名

共 59 条

2-Bromoisovaleric acidRefChem:555416565-74-22-Bromo-3-methylbutyric acid2-Bromo-3-methylbutanoic acidButanoic acid, 2-bromo-3-methyl-alpha-Bromoisovaleric acid2-Bromo-3-methylbutyricacidButyric acid, 2-bromo-3-methyl-NSC 167EINECS 209-291-0UNII-M69LGV465C.alpha.-Bromoisovaleric acidMFCD00004210BRN 1721146M69LGV465CAI3-21065169320-29-0NSC-167NSC-6967

REACTIONS