HCID236352

2-Bromo-4-tert-butylbenzoic acid

C11H13BrO2257.12 g/molCAS 6332-96-3

查看相关反应子结构检索查找相似结构

IDENTITY

结构与身份

标准SMILES: CC(C)(C)c1ccc(C(=O)O)c(Br)c1
InChIKey: ZLTIYXKXOZKGDG-UHFFFAOYSA-N
分子式: C11H13BrO2
平均分子量: 257.12 g/mol
单同位素质量: 256.00989

COMPUTED

结构计算性质

已同步

XLogP: 4.8
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: 14
形式电荷: 0
复杂度: 220

GHS

GHS分类

来源：PubChem

GHS Classification

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]

P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

HAZARDS

危害信息

来源：PubChem

Hazard Classes and Categories

Acute Tox. 4 (100%)；Acute Tox. 4 (100%)；Acute Tox. 4 (100%)

ALIASES

名称与别名

共 19 条

2-bromo-4-tert-butylbenzoic acidRefChem:466627807-235-52-Bromo-4-(tert-butyl)benzoic acid6332-96-32-bromo-4-tert-butyl-benzoic acidMFCD11040238NSC38779SCHEMBL2346964DTXSID802847404-tert-butyl-2-bromobenzoic acidZLTIYXKXOZKGDG-UHFFFAOYSA-N2-Bromo-4-(tert-butyl)benzoicacidNSC-38779AKOS016005667SY046899DB-094925CS-0105339F228778

REACTIONS