HCID80172

4-Cyanobenzoyl chloride

C8H4ClNO165.57 g/molCAS 6068-72-0

查看相关反应子结构检索查找相似结构

IDENTITY

结构与身份

标准SMILES: N#Cc1ccc(C(=O)Cl)cc1
InChIKey: USEDMAWWQDFMFY-UHFFFAOYSA-N
分子式: C8H4ClNO
平均分子量: 165.57 g/mol
单同位素质量: 164.9981414

COMPUTED

结构计算性质

已同步

XLogP: 2.5
极性表面积: 40.9 Å²
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: 197

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%): 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 53 reports by companies from 6 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

Status: Active Update: 04-10-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/34067

Hazard Classes and Categories

Skin Corr. 1B (100%)；Eye Dam. 1 (83%)

REGULATORY

法规信息

来源：PubChem

Regulatory Information

Status: Active Update: 04-10-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/34067

ALIASES

名称与别名

共 36 条

4-Cyanobenzoyl chloride6068-72-0p-CYANOBENZOYL CHLORIDEBenzoyl chloride, 4-cyano-4-cyanobenzoic acid chloridePara-cyanobenzoyl chlorideUNII-2577FDE7A84-(Chlorocarbonyl)benzonitrile2577FDE7A8EINECS 228-005-5Benzoyl chloride, p-cyano-CHEBI:184302DTXSID80209493RefChem:98652DTXCID00131984228-005-54-Cyanobenzoylchloride4-Cyano-benzoyl chlorideMFCD000018224cyanobenzoyl chloride

REACTIONS

参与反应

315 条

uspto-grants-2010_06 · 10.6084/m9.figshare.5104873.v1 · US07727982B2

查看

uspto-grants-2010_06 · 10.6084/m9.figshare.5104873.v1 · US07727981B2

查看

uspto-grants-1979_04 · 10.6084/m9.figshare.5104873.v1 · US04148914

查看

uspto-grants-2008_09 · 10.6084/m9.figshare.5104873.v1 · US07425558B2

查看

uspto-grants-2008_09 · 10.6084/m9.figshare.5104873.v1 · US07425557B2

查看

uspto-grants-2013_09 · 10.6084/m9.figshare.5104873.v1 · US08524907B2

查看

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

查看

uspto-grants-2014_09 · 10.6084/m9.figshare.5104873.v1 · US08846677B2

查看