5-Chloro-2-fluorobenzoyl chloride 分子结构式
HCID2773604

5-Chloro-2-fluorobenzoyl chloride

C7H3Cl2FO193 g/molCAS 394-29-6

IDENTITY

结构与身份

标准SMILES
O=C(Cl)c1cc(Cl)ccc1F
InChIKey
VWGAATKTEAKOCO-UHFFFAOYSA-N
分子式
C7H3Cl2FO
平均分子量
193 g/mol
单同位素质量
191.9544983

COMPUTED

结构计算性质

已同步
XLogP
3.3
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
11
形式电荷
0
复杂度
163

GHS

GHS分类

来源:PubChem
GHS Classification

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation];H318 (83.3%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 48 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
Hazard Classes and Categories

Skin Corr. 1B (100%);Eye Dam. 1 (83.3%)

ALIASES

名称与别名

共 23 条
5-Chloro-2-fluorobenzoyl chloride394-29-6DTXSID70378586RefChem:102304DTXCID10329613623-605-72-fluoro-5-chlorobenzoyl chlorideMFCD016314335-Chloro-2-fluoro-benzoyl chloride5-chloro-2-fluorobenzoylchlorideBenzoyl chloride, 5-chloro-2-fluoro-Z2D3PLQ39TSCHEMBL284068SCHEMBL303495843-chloro-6-fluorobenzoyl chlorideVWGAATKTEAKOCO-UHFFFAOYSA-NSBB069730AKOS0052544065-Chloro-2-fluorobenzoyl chloride, 97%PS-10779

REACTIONS

参与反应

20
HRID 18476 反应方程式

uspto-grants-2010_06 · 10.6084/m9.figshare.5104873.v1 · US07741350B1

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HRID 45354 反应方程式

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

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HRID 113225 反应方程式

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

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HRID 242488 反应方程式

uspto-grants-2014_02 · 10.6084/m9.figshare.5104873.v1 · US08653127B2

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HRID 242493 反应方程式

uspto-grants-2014_02 · 10.6084/m9.figshare.5104873.v1 · US08653127B2

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HRID 254640 反应方程式

uspto-grants-2011_01 · 10.6084/m9.figshare.5104873.v1 · US07875640B2

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HRID 273115 反应方程式

uspto-grants-2008_11 · 10.6084/m9.figshare.5104873.v1 · US07456200B2

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HRID 448035 反应方程式

uspto-grants-2013_07 · 10.6084/m9.figshare.5104873.v1 · US08481574B2

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