4-Chlorobenzene-1-carboximidamide hydrochloride

HCID 203436CAS 14401-51-5

기본 정보

표준 SMILES: Cl.N=C(N)c1ccc(Cl)cc1
InChIKey: RXAOGVQDNBYURA-UHFFFAOYSA-N
분자식: C7H8Cl2N2
평균 분자량: 191.05 g/mol
단동위원소 질량: 190.00645362

이름 및 식별자

우선 이름: 4-Chlorobenzene-1-carboximidamide hydrochloride
IUPAC: 4-chlorobenzenecarboximidamide;hydrochloride
영어명: 4-Chlorobenzene-1-carboximidamide hydrochloride
분자식: C7H8Cl2N2
분자량: 191.06

이름 및 동의어

4-Chlorobenzene-1-carboximidamide hydrochlorideBenzenecarboximidamide, 4-chloro-, hydrochloride (1:1)RefChem:521935604-389-314401-51-54-Chlorobenzamidine hydrochloride4-chloro-benzamidine hydrochlorideMFCD00126401p-Chlorobenzamidine hydrochlorideBenzenecarboximidamide, 4-chloro-, monohydrochloride4-Chlorobenzenecarboximidamide monohydrochloride4-CHLOROBENZIMIDAMIDE HYDROCHLORIDE

이름 더 보기

4-CHLOROBENZAMIDINE HCL4-Chlorobenzimidamide HClp-chloro-benzamidhydrochloride4-chlorbenamidine hydrochloride4-ChlorobenzamidineHydrochloride>p-chloro-benzamidinmonohydrochloride4-Chlorobenzene-1-carboximidamideHCl4-Chlorobenzamidine hydrochloride ,95%

4-chlorobenzenecarboximidamide;hydrochloride4-chlorobenzamidine;hydrochloride4-Chlorobenzamidine Monohydrochloride4-chlorobenzenecarboxamidine, chlorideSMR000354347EN300-107516AI3-23662Benzamide, p-chloro-, hydrochloride

데이터베이스 식별자

CAS: 14401-51-5
PubChem CID: 203436
DTXSID: DTXSID80162599
ChEMBL: CHEMBL1406830
EC Number: 604-389-3

물성

구조 계산 물성

극성 표면적: 49.9 Å²
수소 결합 공여자 수: 3
수소 결합 수용자 수: 1
회전 가능 결합 수: 1
무거운 원자 수: 11
형식 전하: 0
복잡도: 128

물리화학적 성질

녹는점: 244 °C · 244 °C
저장 조건: Inert atmosphere,Room Temperature
물리적 상태: powder to crystal
색상: 흰색에서 거의 흰색
InChI: 1S/C7H7ClN2.ClH/c8-6-3-1-5(2-4-6)7(9)10;/h1-4H,(H3,9,10);1H
InChIKey: RXAOGVQDNBYURA-UHFFFAOYSA-N
SMILES: Cl.NC(=N)c1ccc(Cl)cc1

화학적 성질

White solid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H301 (20%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P272, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 5 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 3 (20%)

안전 데이터

wgk: WGK 3
rtecs: CV6136200
독성: mouse,LD50,intravenous,90mg/kg (90mg/kg),Journal of Pharmacology and Experimental Therapeutics. Vol. 84, Pg. 16, 1945.
HS 번호: 29252900
risk_code: 36/37/38-43-36-25
hazard_code: Xi,T
safety_code: 26-36-37/39-45-36/37
위험 참고 사항: Irritant
Hazard Classifications: Acute Tox. 3 OralEye Irrit. 2Skin Sens. 1
스토리지 클래스: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects