2-Bromo-5-methoxyphenol 分子结构式
HCID13493839

2-Bromo-5-methoxyphenol

C7H7BrO2203.03 g/molCAS 63604-94-4

IDENTITY

结构与身份

标准SMILES
COc1ccc(Br)c(O)c1
InChIKey
KHGMUWBYGFWGCZ-UHFFFAOYSA-N
分子式
C7H7BrO2
平均分子量
203.03 g/mol
单同位素质量
201.96294

COMPUTED

结构计算性质

已同步
XLogP
2.5
极性表面积
29.5 Ų
氢键供体
1
氢键受体
2
可旋转键
1
重原子
10
形式电荷
0
复杂度
108

GHS

GHS分类

来源:PubChem
GHS Classification

This chemical does not meet GHS hazard criteria for 25% (1 of 4) of reports.

Warning

H302 (25%): Harmful if swallowed [Warning Acute toxicity, oral];H315 (75%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (75%): 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 4 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 1 of 4 reports by companies.;There are 3 notifications provided by 3 of 4 reports by companies with hazard statement code(s).;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

来源:PubChem
Hazard Classes and Categories

Acute Tox. 4 (25%);Skin Irrit. 2 (75%);Eye Irrit. 2 (75%);STOT SE 3 (50%)

ALIASES

名称与别名

共 27 条
2-Bromo-5-methoxyphenol63604-94-4DTXSID60542153RefChem:85779DTXCID30492939613-281-54-Bromo-3-hydroxyanisoleMFCD034285232-bromo-5-methoxy-phenolPHENOL, 2-BROMO-5-METHOXY-2-Bromo-5-methoxy phenol1-bromo-2-hydroxy-4-methoxy benzene4-bromo-3-hydroxyanisol2-bromo -5-methoxyphenolSCHEMBL154623KHGMUWBYGFWGCZ-UHFFFAOYSA-N1-Bromo-2-hydroxy-4methoxybenzene1-Bromo-2-hydroxy-4-methoxybenzeneAKOS005259403CS-W003079

REACTIONS

参与反应

57
HRID 135613 反应方程式

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

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HRID 139161 反应方程式

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

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HRID 147211 反应方程式

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

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HRID 277501 反应方程式

uspto-grants-2002_03 · 10.6084/m9.figshare.5104873.v1 · US06355813B1

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HRID 277503 反应方程式

uspto-grants-2002_03 · 10.6084/m9.figshare.5104873.v1 · US06355813B1

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HRID 289940 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D

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HRID 365355 反应方程式

uspto-grants-2000_10 · 10.6084/m9.figshare.5104873.v1 · US06127371

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HRID 399236 反应方程式

uspto-grants-1998_10 · 10.6084/m9.figshare.5104873.v1 · US05817693

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