3-(3-클로로페닐)-1H-피라졸-5-아민

3-(3-chlorophenyl)-1H-pyrazol-5-amine

HCID 178507281

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 208519-09-9
표준 SMILES: Nc1cc(-c2cccc(Cl)c2)n[nH]1
InChIKey: HLKDVENNWRMMOS-UHFFFAOYSA-N
분자식: C9H8ClN3
평균 분자량: 193.63 g/mol
단동위원소 질량: 193.040675

이름 및 식별자

우선 이름: 3-(3-chlorophenyl)-1H-pyrazol-5-amine
IUPAC: 5-(3-chlorophenyl)-1H-pyrazol-3-amine
현지명: 3-(3-클로로페닐)-1H-피라졸-5-아민
영어명: 3-(3-Chlorophenyl)-1H-pyrazol-5-amine
분자식: C9H8ClN3
분자량: 193.63

이름 및 동의어

208519-09-93-(3-chlorophenyl)-1H-pyrazol-5-amine5-(3-chlorophenyl)-1H-pyrazol-3-amineDTXSID80396872RefChem:491909DTXCID10347731819-600-61H-Pyrazol-3-amine, 5-(3-chlorophenyl)-MFCD026642655-(3-Chloro-phenyl)-2H-pyrazol-3-ylamine5-AMINO-3-(3-CHLOROPHENYL)PYRAZOLE3-Amino-5-(3-chlorophenyl)-1H-pyrazole

이름 더 보기

3-(3-클로로페닐)-1H-피라졸-5-아민ZINC042346905-(3-chlorophenyl)-1H-pyrazole-3-amine[5-(3-chlorophenyl)-1H-pyrazol-3-yl]amine

STK889348AKOS004912490AA-0869AB12106F3379-0346Z3170422403-(3-chlorophenyl)pyrazole-5-ylamine5-Amino-3-(3-chlorophenyl)-1H-pyrazole

데이터베이스 식별자

CAS: 208519-09-9
PubChem CID: 3820802

물성

구조 계산 물성

XLogP: 2.2
극성 표면적: 54.7 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 13
형식 전하: 0
복잡도: 176

물리화학적 성질

녹는점: 138 · 138-140°C
저장 조건: 2 · 2-8°C
물리적 상태: solid
InChI: 1S/C9H8ClN3/c10-7-3-1-2-6(4-7)8-5-9(11)13-12-8/h1-5H,(H3,11,12,13)
InChIKey: HLKDVENNWRMMOS-UHFFFAOYSA-N
SMILES: Nc1cc(n[nH]1)-c2cccc(Cl)c2

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (50%): 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 2 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 (50%)；Eye Irrit. 2A (50%)；STOT SE 3 (50%)

안전 데이터

wgk: WGK 3
HS 번호: 2933199090
risk_code: 22
hazard_code: Xi,Xn
위험 등급: IRRITANT
Hazard Classifications: Acute Tox. 4 Oral
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

공급사47 곳

上海康恩博医药科技有限公司17510465506 · [email protected]

陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]

郑州阿尔法化工有限公司+86-18530059196 · [email protected]

杭州鸿喜生物医药科技有限公司18989489206 · [email protected]

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

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