HCID226292

2-Bromo-4-methylbenzoic acid

C8H7BrO2215.04 g/molCAS 7697-27-0

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: Cc1ccc(C(=O)O)c(Br)c1
InChIKey: ZZYYOHPHSYCHQG-UHFFFAOYSA-N
分子式: C8H7BrO2
平均分子量: 215.04 g/mol
单同位素质量: 213.96294

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: 1
重原子: 11
形式电荷: 0
复杂度: 158

GHS

GHS分类

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 (66.7%): 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)

Aggregated GHS information provided per 6 reports by companies from 5 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

Hazard Classes and Categories

Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (66.7%)

ALIASES

名称与别名

共 29 条

2-Bromo-4-methylbenzoic acid7697-27-0DTXSID90280374RefChem:85737DTXCID90231528630-124-62-bromo-4-methyl-benzoic acidMFCD00045797Benzoic acid, 2-bromo-4-methyl-2-Bromo-4-methylbenzoicAcidNSC166292-BROMO-4-METHYL BENZOIC ACIDSCHEMBL211284SCHEMBL29775265CL8026NSC 16629NSC-16629SBB0176162-Bromo-4-methylbenzoic acid, 97%AKOS005258982

REACTIONS

相关反应

28 条

uspto-grants-2008_09 · 10.6084/m9.figshare.5104873.v1 · US07420083B2

查看

Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

查看

Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D

查看

Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D

查看

uspto-grants-2014_06 · 10.6084/m9.figshare.5104873.v1 · US08748624B2

查看

uspto-grants-2014_10 · 10.6084/m9.figshare.5104873.v1 · US08871790B2

查看

uspto-grants-2011_11 · 10.6084/m9.figshare.5104873.v1 · US08067408B2

查看

uspto-grants-2011_12 · 10.6084/m9.figshare.5104873.v1 · US08071588B2

查看