4-(Aminomethyl)benzonitrile hydrochloride (HCID 9942250)

이름 및 식별자

우선 이름: 4-(Aminomethyl)benzonitrile hydrochloride
IUPAC: 4-(aminomethyl)benzonitrile;hydrochloride
영어명: 4-(Aminomethyl)benzonitrile hydrochloride
분자식: C8H9ClN2
분자량: 168.62

이름 및 동의어

4-(Aminomethyl)benzonitrile hydrochloride15996-76-6DTXSID90433101RefChem:288463DTXCID80383929677-095-64-Cyanobenzylamine hydrochloride4-Cyanobenzylamine HCL4-(aminomethyl)benzonitrile;hydrochlorideBenzonitrile, 4-(aminomethyl)-, hydrochloride (1:1)MFCD018614724-(Aminomethyl)benzonitrile hydrochloride, 97%

이름 더 보기

4-CNBAM X HCL4-CyanobenzylaMine HCl Salt4-(AMINOMETHYL)BENZONITRILE HCLα-Amino-p-tolunitrile HydrochlorideALPHA-AMINO-P-TOLUNITRILE HYDROCHLORIDEp-(Aminomethyl)benzonitrile HydrochlorideBenzonitrile,4-(aminomethyl)-, hydrochloride4-(Aminomethyl)benzonitrile hydrochloride 97%

Benzonitrile, 4-(aminomethyl)-, monohydrochloride4-Aminomethyl-benzonitrile hydrochloride4-Cyanobenzyl amine HCl4-aminomethylbenzonitrile HClSCHEMBL154002p-cyanobenzylamine hydrochlorideorb29392584-cyano-benzyl amine hydrochloride

데이터베이스 식별자

CAS: 15996-76-6
PubChem CID: 9942250
DTXSID: DTXSID90433101
EC Number: 677-095-6

물성

구조 계산 물성

극성 표면적: 49.8 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 11
형식 전하: 0
복잡도: 137

물리화학적 성질

녹는점: 274 · 274-279 °C(lit.)
저장 조건: Inert atmosphere,Room Temperature
용해도: DMSO(약간 용해됨), 메탄올(약간 용해됨), 물(약간 용해됨)
물리적 상태: 고체
색상: 황백색에서 노란색까지
수용성: 거의 투명함
InChI: 1S/C8H8N2.ClH/c9-5-7-1-2-8(6-10)4-3-7;/h1-4H,5,9H2;1H
InChIKey: QREZLLYPLRPULF-UHFFFAOYSA-N
SMILES: Cl[H].NCc1ccc(cc1)C#N

화학적 성질

Solid

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (85.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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

Aggregated GHS information provided per 7 reports by companies from 2 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.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)

안전 데이터

wgk: 3
HS 번호: 29269090
risk_code: 20/21/22-36/37/38-22
safety_code: 22-24/25-36/37-26
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 1건

용도4-(Aminomethyl)benzonitrile hydrochloride can be used in the synthesis of fluorescent-labeled bisbenzamidine, which can be a biochemical tool in biomedical studies. It can also be used in the synthesis of 3-(p-benzylamino)-1,2,4,5 tetrazine, used in the modification of alginate hydrogels, employed in cell engineering applications.