HCID13396

4-Aminobenzonitrile

C7H6N2118.14 g/molCAS 873-74-5

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IDENTITY

结构与身份

标准SMILES: N#Cc1ccc(N)cc1
InChIKey: YBAZINRZQSAIAY-UHFFFAOYSA-N
分子式: C7H6N2
平均分子量: 118.14 g/mol
单同位素质量: 118.0530982

COMPUTED

结构计算性质

已同步

XLogP: 1.3
极性表面积: 49.8 Å²
氢键供体: 1
氢键受体: 2
可旋转键: 0
重原子: 9
形式电荷: 0
复杂度: 125

PROPERTIES

实验与物化性质

来源：PubChem

Vapor Pressure

0.00887 [mmHg]

Physical Description

Off-white crystalline powder; Slightly soluble in water; [MSDSonline]

GHS

GHS分类

来源：PubChem

GHS Classification

Danger

H301 (88.1%): Toxic if swallowed [Danger Acute toxicity, oral]；H302 (11.9%): Harmful if swallowed [Warning Acute toxicity, oral]；H311 (14.9%): Toxic in contact with skin [Danger Acute toxicity, dermal]；H315 (11.9%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (88.1%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H331 (10.4%): Toxic if inhaled [Danger Acute toxicity, inhalation]；H335 (10.4%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 67 reports by companies from 15 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: 04-04-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/25637；Status: Active Update: 05-09-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/17688

4-Aminobenzonitrile: Does not have an individual approval but may be used under an appropriate group standard

Hazards Summary

An eye irritant; [eChemPortal: ERMA] An irritant; Effects in high-dose animal studies include cyanosis; [MSDSonline] See NITRILES.

Hazard Classes and Categories

Acute Tox. 3 (88.1%)；Acute Tox. 4 (11.9%)；Acute Tox. 3 (14.9%)；Skin Irrit. 2 (11.9%)；Eye Irrit. 2A (88.1%)；Acute Tox. 3 (10.4%)；STOT SE 3 (10.4%)

REGULATORY

法规信息

来源：PubChem

Regulatory Information

4-Aminobenzonitrile: 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

Benzonitrile, 4-amino-: ACTIVE

ALIASES

名称与别名

共 75 条

4-Aminobenzonitrile873-74-54-CyanoanilineP-AMINOBENZONITRILEp-CyanoanilineBenzonitrile, 4-amino-Benzonitrile, p-amino-1-Amino-4-cyanobenzenePB8V69Y76TDTXSID0061240NSC-7625para-aminobenzonitrileRefChem:97838DTXCID3048578212-850-1Aniline, p-cyano-MFCD000078214-amino-benzonitrilep-Cyanophenylamineaniline, 4-cyano-

REACTIONS