1-(3-(trifluoromethyl)phenyl)-1H-pyrazol-3-amine

HCID 13626946CAS 66000-41-7

기본 정보

표준 SMILES: Nc1ccn(-c2cccc(C(F)(F)F)c2)n1
InChIKey: LCLWEOIMXMEDKX-UHFFFAOYSA-N
분자식: C10H8F3N3
평균 분자량: 227.19 g/mol
단동위원소 질량: 227.06703192

이름 및 식별자

우선 이름: 1-(3-(trifluoromethyl)phenyl)-1H-pyrazol-3-amine
IUPAC: 1-[3-(trifluoromethyl)phenyl]pyrazol-3-amine
영어명: 1-(3-(trifluoromethyl)phenyl)-1H-pyrazol-3-amine
분자식: C10H8F3N3
분자량: 227.19

이름 및 동의어

1-[3-(trifluoromethyl)phenyl]-1H-pyrazol-3-amine1-(3-(trifluoromethyl)phenyl)-1H-pyrazol-3-amine1H-Pyrazol-3-amine, 1-[3-(trifluoromethyl)phenyl]-1H-Pyrazol-3-amine, 1-(3-(trifluoromethyl)phenyl)-RefChem:423221961-213-066000-41-71-[3-(TRIFLUOROMETHYL)PHENYL]PYRAZOL-3-AMINE1-(3-trifluoromethyl-phenyl)-1H-pyrazol-3-ylamineSCHEMBL45043TQP1410DTXSID401226469

이름 더 보기

1-(3-(trifluoromethyl)phenyl)-3-amino-1H-pyrazole

RCA00041AKOS011972481DB-180689CS-0233258EN300-132125G49661Z995041314

데이터베이스 식별자

CAS: 66000-41-7
PubChem CID: 13626946
DTXSID: DTXSID401226469
EC Number: 961-213-0

물성

구조 계산 물성

XLogP: 2.4
극성 표면적: 43.8 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 5
회전 가능 결합 수: 1
무거운 원자 수: 16
형식 전하: 0
복잡도: 244

물리화학적 성질

끓는 점: 325.2 · 325.2±42.0 °C(Predicted)
밀도: 1.39 · 1.39±0.1 g/cm3(Predicted)
산도 계수 (pKa): 3.46 · 3.46±0.11(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.