3-Fluorobenzoyl chloride 分子结构式
HCID74376

3-Fluorobenzoyl chloride

C7H4ClFO158.56 g/molCAS 1711-07-5

IDENTITY

结构与身份

标准SMILES
O=C(Cl)c1cccc(F)c1
InChIKey
SYVNVEGIRVXRQH-UHFFFAOYSA-N
分子式
C7H4ClFO
平均分子量
158.56 g/mol
单同位素质量
157.9934706

COMPUTED

结构计算性质

已同步
XLogP
3.1
极性表面积
17.1 Ų
氢键供体
0
氢键受体
2
可旋转键
1
重原子
10
形式电荷
0
复杂度
138

GHS

GHS分类

来源:PubChem
GHS Classification

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 51 reports by companies from 5 notifications to the ECHA C&L Inventory.;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

3-Fluorobenzoyl chloride: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and Categories

Skin Corr. 1B (100%)

REGULATORY

法规信息

来源:PubChem
Regulatory Information

3-Fluorobenzoyl chloride: Does not have an individual approval but may be used under an appropriate group standard

USES

用途与制造

来源:PubChem
General Manufacturing Information

Benzoyl chloride, 3-fluoro-: ACTIVE

ALIASES

名称与别名

共 43 条
3-Fluorobenzoyl chlorideBenzoyl chloride, 3-fluoro-3-Fluorobenzoxyl chlorideEINECS 216-977-3NSC 88315meta-Fluorobenzoyl chlorideDTXSID5061906RefChem:93951DTXCID7035480216-977-3SYVNVEGIRVXRQH-UHFFFAOYSA-N1711-07-5m-Fluorobenzoyl chloride3-fluorobenzoylchlorideMFCD00000670Benzoyl chloride, m-fluoro-m-Fluorobenzoic acid chloride3-fluorobenzoic acid chlorideYP3X7K7SYBNSC-88315

REACTIONS

参与反应

241
HRID 10000 反应方程式

uspto-grants-2006_08 · 10.6084/m9.figshare.5104873.v1 · US07091353B2

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HRID 15594 反应方程式

uspto-grants-2010_06 · 10.6084/m9.figshare.5104873.v1 · US07732618B2

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HRID 21070 反应方程式

uspto-grants-2010_06 · 10.6084/m9.figshare.5104873.v1 · US07745641B2

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HRID 28691 反应方程式

uspto-grants-2008_09 · 10.6084/m9.figshare.5104873.v1 · US07419997B2

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HRID 37923 反应方程式

uspto-grants-2013_09 · 10.6084/m9.figshare.5104873.v1 · US08524704B2

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HRID 45355 反应方程式

uspto-grants-2013_09 · 10.6084/m9.figshare.5104873.v1 · US08541457B2

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HRID 84131 反应方程式

uspto-grants-2014_09 · 10.6084/m9.figshare.5104873.v1 · US08846920B2

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HRID 89699 反应方程式

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

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