3-Bromo-4-hydroxyphenylacetic acid 分子结构式
HCID2769628

3-Bromo-4-hydroxyphenylacetic acid

2-(3-bromo-4-hydroxyphenyl)acetic acid

C8H7BrO3231.04 g/molCAS 38692-80-7

IDENTITY

结构与身份

标准SMILES
O=C(O)Cc1ccc(O)c(Br)c1
InChIKey
BFVCOQXPSXVGPS-UHFFFAOYSA-N
分子式
C8H7BrO3
平均分子量
231.04 g/mol
单同位素质量
229.95786

COMPUTED

结构计算性质

已同步
XLogP
1.7
极性表面积
57.5 Ų
氢键供体
2
氢键受体
3
可旋转键
2
重原子
12
形式电荷
0
复杂度
172

GHS

GHS分类

GHS Classification

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral];H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 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

Acute Tox. 4 (50%);Skin Irrit. 2 (50%);Eye Irrit. 2A (50%);STOT SE 3 (50%)

ALIASES

名称与别名

共 33 条
3-Bromo-4-hydroxyphenylacetic acid38692-80-7U77FZB4AX8EINECS 254-089-8DTXSID20191984Benzeneacetic acid, 3-bromo-4-hydroxy-ACETIC ACID, (3-BROMO-4-HYDROXYPHENYL)-RefChem:93168DTXCID60114475254-089-82-(3-bromo-4-hydroxyphenyl)acetic acidMFCD000168333-bromo-4-hydroxybenzeneacetic acid2-[3-bromo-4-hydroxyphenyl]acetic acid(3-bromo-4-hydroxyphenyl)acetic acid3-Bromo-4-hydroxyphenylaceticacid(3-Bromo-4-hydroxy-phenyl)-acetic acid2-(3-bromo-4-hydroxy-phenyl)acetic acidUNII-U77FZB4AX8SCHEMBL134713

REACTIONS

相关反应

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HRID 285324 反应方程式

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HRID 516603 反应方程式

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HRID 695139 反应方程式

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HRID 1058980 反应方程式

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