反应SMILES:O=C(Cl)c1cc(F)c(F)cc1Cl
HCID10198217

2-Chloro-4,5-difluorobenzoyl chloride

C7H2Cl2F2O210.99 g/molCAS 121872-95-5

IDENTITY

结构与身份

标准SMILES
O=C(Cl)c1cc(F)c(F)cc1Cl
InChIKey
WVGSPMZLNNRZRH-UHFFFAOYSA-N
分子式
C7H2Cl2F2O
平均分子量
210.99 g/mol
单同位素质量
209.9450764

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
3
可旋转键
1
重原子
12
形式电荷
0
复杂度
188

GHS

GHS分类

来源:PubChem
GHS Classification

This chemical does not meet GHS hazard criteria for 100% (37 of 37) of all reports.

Not Classified;Reported as not meeting GHS hazard criteria by 37 of 37 companies. For more detailed information, please visit ECHA C&L website.

Aggregated GHS information provided per 37 reports by companies from 1 notifications to the ECHA C&L Inventory.;Reported as not meeting GHS hazard criteria per 37 of 37 reports by companies.;There are 0 notifications provided by 0 of 37 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

Not Classified

ALIASES

名称与别名

共 20 条
2-Chloro-4,5-difluorobenzoyl chloride121872-95-5DTXSID50436658RefChem:258623DTXCID803874822-chloro-4,5-difluoro-benzoyl Chloride2-chloro-4,5-difluorobenzoylchlorideMFCD04972708Benzoyl chloride, 2-chloro-4,5-difluoro-Benzoyl chloride,2-chloro-4,5-difluoro-SCHEMBL3820327WVGSPMZLNNRZRH-UHFFFAOYSA-NSBB094435AKOS015956926PS-106982-chloro-4,5-difluorobenzoic acid chlorideCS-0267894H55056EN300-1459124F032942

REACTIONS

参与反应

13
HRID249292

uspto-grants-1993_05

作为反应物
HRID 249292 方程式

uspto-grants-1993_05 · 10.6084/m9.figshare.5104873.v1 · US05214051

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HRID974661

uspto-grants-1991_11

作为反应物
HRID 974661 方程式

uspto-grants-1991_11 · 10.6084/m9.figshare.5104873.v1 · US05068449

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HRID974662

uspto-grants-1991_11

作为反应物
HRID 974662 方程式

uspto-grants-1991_11 · 10.6084/m9.figshare.5104873.v1 · US05068449

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HRID982204

uspto-grants-1991_02

作为反应物
HRID 982204 方程式

uspto-grants-1991_02 · 10.6084/m9.figshare.5104873.v1 · US04994610

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HRID982205

uspto-grants-1991_02

作为反应物
HRID 982205 方程式

uspto-grants-1991_02 · 10.6084/m9.figshare.5104873.v1 · US04994610

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HRID1234855

Training data from https://doi.org/10.1039/C8SC04228D (5/10)

作为反应物
HRID 1234855 方程式

Training data from https://doi.org/10.1039/C8SC04228D (5/10) · 10.1039/C8SC04228D

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HRID1545450

Training data from https://doi.org/10.1039/C8SC04228D (1/10)

作为反应物
HRID 1545450 方程式

Training data from https://doi.org/10.1039/C8SC04228D (1/10) · 10.1039/C8SC04228D

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HRID1555231

Training data from https://doi.org/10.1039/C8SC04228D (1/10)

作为反应物
HRID 1555231 方程式

Training data from https://doi.org/10.1039/C8SC04228D (1/10) · 10.1039/C8SC04228D

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