2-Fluorobenzylic alcohol 分子结构式
HCID67969

2-Fluorobenzylic alcohol

(2-fluorophenyl)methanol

C7H7FO126.13 g/molCAS 446-51-5

IDENTITY

结构与身份

标准SMILES
OCc1ccccc1F
InChIKey
QEHXDOJPVIHUDO-UHFFFAOYSA-N
分子式
C7H7FO
平均分子量
126.13 g/mol
单同位素质量
126.04809301

COMPUTED

结构计算性质

已同步
XLogP
1.3
极性表面积
20.2 Ų
氢键供体
1
氢键受体
2
可旋转键
1
重原子
9
形式电荷
0
复杂度
85

GHS

GHS分类

来源:PubChem
GHS Classification

Warning

H227 (25%): Combustible liquid [Warning Flammable liquids];H302 (25%): 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 (75%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P210, 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, P370+P378, P403, 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.;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
Regulatory Information

Benzenemethanol, 2-fluoro-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and Categories

Flam. Liq. 4 (25%);Acute Tox. 4 (25%);Skin Irrit. 2 (100%);Eye Irrit. 2A (100%);STOT SE 3 (75%)

REGULATORY

法规信息

来源:PubChem
Regulatory Information

Benzenemethanol, 2-fluoro-: Does not have an individual approval but may be used under an appropriate group standard

ALIASES

名称与别名

共 46 条
Benzenemethanol, 2-fluoro-2-Fluorobenzylic alcoholEINECS 207-170-7DTXSID10196241NSC 158274RefChem:472619DTXCID20118732207-170-72-Fluorobenzyl alcohol446-51-5(2-Fluorophenyl)methanolo-Fluorobenzyl alcohol2-FluorobenzenemethanolMFCD000046012-Fluorobenzylalcohol(2-fluorophenyl)methan-1-olNSC 158274; o-Fluorobenzyl Alcohol; 2-Fluorobenzenemethanol; (2-Fluorophenyl)methanol(2-fluoro-phenyl)-methanol(2-Fluorophenyl)methanol #SCHEMBL98874

REACTIONS

参与反应

37
HRID 25007 反应方程式

uspto-grants-2005_02 · 10.6084/m9.figshare.5104873.v1 · US06858602B2

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HRID 64407 反应方程式

uspto-grants-2016_09 · 10.6084/m9.figshare.5104873.v1 · US09447090B2

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HRID 229486 反应方程式

uspto-grants-2009_07 · 10.6084/m9.figshare.5104873.v1 · US07563819B1

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HRID 251538 反应方程式

uspto-grants-2011_01 · 10.6084/m9.figshare.5104873.v1 · US07863475B2

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HRID 292671 反应方程式

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

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HRID 302004 反应方程式

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

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HRID 450868 反应方程式

uspto-grants-2013_07 · 10.6084/m9.figshare.5104873.v1 · US08487000B2

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HRID 496704 反应方程式

uspto-grants-2005_09 · 10.6084/m9.figshare.5104873.v1 · US06946491B2

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