对氨基苯腈 (HCID 13396)

名称与标识

首选名称: 4-Aminobenzonitrile
IUPAC: 4-aminobenzonitrile
中文名: 对氨基苯腈
英文名: 4-Aminobenzonitrile
分子式: C7H6N2
分子量: 118.14

名称与别名

4-Aminobenzonitrile873-74-54-CyanoanilineP-AMINOBENZONITRILEp-CyanoanilineBenzonitrile, 4-amino-Benzonitrile, p-amino-1-Amino-4-cyanobenzenePB8V69Y76TDTXSID0061240NSC-7625para-aminobenzonitrile

展开更多名称

4-氰苯胺对氰基苯胺对氨基苯腈4-氨基氰苯4-氰基苯胺4-氨基苄腈4-氨基苯腈4-氨基苄氰4-氨基苯甲腈利匹韦林杂质64-AMinobenzonitirlePABNNSC 7625AKOS 91151AKOS B029065p-cyano-anilin

RefChem:97838DTXCID3048578212-850-1Aniline, p-cyano-MFCD000078214-amino-benzonitrilep-Cyanophenylamineaniline, 4-cyano-

数据库标识

CAS: 873-74-5
PubChem CID: 13396
DTXSID: DTXSID0061240
UNII: PB8V69Y76T
EC Number: 212-850-1
Nikkaji: J46.531C

性质

结构计算性质

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

实验与物化性质

Vapor Pressure0.00887 [mmHg]

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

物理化学性质

熔点: 83 · 83-85 °C(lit.)
沸点: 167 °C · 167 °C / 1mmHg
密度: 1.1151 · 1.1151 (rough estimate)
蒸气压: 0.002 · 0.002-0.005Pa at 20-25℃
折射率: 1.55 · 1.5500 (estimate)
储存条件: Keep in dark place,Inert atmosphere,Room temperature
溶解度: Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)
形态: Crystalline Powder Chunks
酸度系数(pKa): 1.74 · 1.74(at 25℃)
颜色: Off-white or beige to orange-yellow
水溶解性: Soluble in ethyl acetate, dichloromethane and chloroform. Insoluble in water.
BRN: 774507 · 774507
稳定性: Toxic
InChI: 1S/C7H6N2/c8-5-6-1-3-7(9)4-2-6/h1-4H,9H2
InChIKey: YBAZINRZQSAIAY-UHFFFAOYSA-N
SMILES: Nc1ccc(cc1)C#N
LogP: 1 at · 1 at 20℃ and pH7
CAS 数据库: 873 · 873-74-5(CAS DataBase Reference)
NIST化学物质信息: 4 · Benzonitrile, 4-amino-(873-74-5)
EPA化学物质信息: 4 · Benzonitrile, 4-amino- (873-74-5)

安全与法规

GHS分类

GHS Classification · 5 条

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.

危害信息

Regulatory Information · 2 条

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

Hazard Classes and CategoriesAcute 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%)

法规信息

Regulatory Information · 2 条

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

安全数据

wgk: 3
tsca: TSCA listed
RTECS号: BX2320000
hazard_note: Harmful
包装类别: III
危险等级: 6.1
存储类别: 11 - Combustible Solids
安全说明: 26-36
海关编码: 29269095
危险品标志: Xn,Xi
危险性类别: Acute Tox. 4 OralAquatic Chronic 3Muta. 2
危险类别码: 22-36-36/37/38-20/21/22
危险品运输编号: UN 2811 6.1/PG 3

化学与工业

用途与制造

General Manufacturing InformationBenzonitrile, 4-amino-: ACTIVE

应用领域

简介对氨基苯腈为白色至淡黄色结晶粉末，可用作医药中间体。

用途农药中间体，也用于香料的合成

上下游产品信息

下游产品

4-氰基苯异氰酸酯比卡鲁胺 4-(二甲胺基)苄胺二盐酸盐 4-(二甲胺基)苄腈对氨基苯甲酰胺 4-肼苯腈 1-(4-氰苯基)-2,5-二甲基吡咯 N-BOC-4-氨基苯腈 4-(二氟甲基)苯甲腈 4-巯基苯甲腈 3,4-二氨基苯甲脒 4-溴喹啉-6-羧酸

试剂价格

XW87374502 · 25g: 4-氨基苯腈 — 89元
XW87374501 · 5g: 4-氨基苯腈 — 42元

供应商50 家

杭州创引化工科技有限公司0571-87086220 13516718938 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

衢州润东化工有限公司0570-8789886 18892685668 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

宁波君龙新材料有限公司0574 88552216 19032109277 · [email protected]

关联笔记

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对氨基苯腈

基本信息