反应SMILES:COc1ccc(CO)c(F)c1
HCID593638

(2-Fluoro-4-methoxyphenyl)methanol

C8H9FO2156.15 g/molCAS 405-09-4

IDENTITY

结构与身份

标准SMILES
COc1ccc(CO)c(F)c1
InChIKey
AZYGOIQKPGPBTM-UHFFFAOYSA-N
分子式
C8H9FO2
平均分子量
156.15 g/mol
单同位素质量
156.05865769

COMPUTED

结构计算性质

已同步
XLogP
1.1
极性表面积
29.5 Ų
氢键供体
1
氢键受体
3
可旋转键
2
重原子
11
形式电荷
0
复杂度
119

GHS

GHS分类

来源:PubChem
GHS Classification

Warning

H302 (14.3%): Harmful if swallowed [Warning Acute toxicity, oral];H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (42.9%): 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 7 reports by companies from 3 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

来源:PubChem
Hazard Classes and Categories

Acute Tox. 4 (14.3%);Skin Irrit. 2 (100%);Eye Irrit. 2A (100%);STOT SE 3 (42.9%)

ALIASES

名称与别名

共 24 条
(2-Fluoro-4-methoxyphenyl)methanolRefChem:395831609-840-82-Fluoro-4-methoxybenzyl alcohol405-09-4MFCD041163362-fluoro-4-methoxybenzylalcoholBenzyl alcohol, 4-methoxy-6-fluoro-SCHEMBL2290549SCHEMBL7670936SCHEMBL29212773DTXSID60343980SBB064792(2-fluoro-4-methoxy-phenyl)-methanol(2-Fluoro-4-methoxyphenyl)methanol #AKOS005255005Benzoic alcohol, 4-methoxy-6-fluoro-AB20682(2-fluoro-4-methoxyphenyl)methan-1-olBenzyl alcohol, 2'-fluoro-4'-methoxy-

REACTIONS

参与反应

3
HRID186967

Training data from https://doi.org/10.1039/C8SC04228D (6/10)

作为反应物
HRID 186967 方程式

Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D

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HRID636750

uspto-grants-2001_02

作为反应物
HRID 636750 方程式

uspto-grants-2001_02 · 10.6084/m9.figshare.5104873.v1 · US06194461B1

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HRID1783397

uspto-grants-2009_03

作为反应物
HRID 1783397 方程式

uspto-grants-2009_03 · 10.6084/m9.figshare.5104873.v1 · US07501406B2

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