HCID824992

1-(4-Bromophenyl)cyclopentanecarboxylic acid

1-(4-bromophenyl)cyclopentane-1-carboxylic acid

C12H13BrO2269.13 g/molCAS 143328-24-9

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: O=C(O)C1(c2ccc(Br)cc2)CCCC1
InChIKey: UALMMAIHRMKFCW-UHFFFAOYSA-N
分子式: C12H13BrO2
平均分子量: 269.13 g/mol
单同位素质量: 268.00989

COMPUTED

结构计算性质

已同步

XLogP: 3.5
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: 15
形式电荷: 0
复杂度: 238

GHS

GHS分类

来源：PubChem

GHS Classification

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, 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

Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

ALIASES

名称与别名

共 27 条

1-(4-Bromophenyl)cyclopentanecarboxylic acid143328-24-9DTXSID00356498RefChem:224922DTXCID10307557UALMMAIHRMKFCW-UHFFFAOYSA-N1-(4-bromophenyl)cyclopentane-1-carboxylic acidMFCD00455267Oprea1_566312Oprea1_669317SCHEMBL9966557TFA32824STK179589AKOS000109356AB90888BS-14015DA-31044SY105164CS-0046988ST50004479

REACTIONS

参与反应

2 条

uspto-grants-2015_06 · 10.6084/m9.figshare.5104873.v1 · US09061998B2

查看

uspto-grants-2016_06 · 10.6084/m9.figshare.5104873.v1 · US09376441B2

查看