3-아미노-6-(트리플루오로메틸)-1H-인다졸

3-Amino-6-(trifluoromethyl)-1H-indazole

HCID 817909CAS 2250-55-7

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: Nc1n[nH]c2cc(C(F)(F)F)ccc12
InChIKey: ZMPFPQFXUYYHSJ-UHFFFAOYSA-N
분자식: C8H6F3N3
평균 분자량: 201.15 g/mol
단동위원소 질량: 201.05138185

이름 및 식별자

우선 이름: 3-Amino-6-(trifluoromethyl)-1H-indazole
IUPAC: 6-(trifluoromethyl)-1H-indazol-3-amine
현지명: 3-아미노-6-(트리플루오로메틸)-1H-인다졸
영어명: 3-AMINO-6-(TRIFLUOROMETHYL)-1H-INDAZOLE
분자식: C8H6F3N3
분자량: 201.15

이름 및 동의어

3-Amino-6-(trifluoromethyl)-1H-indazoleRefChem:497448640-867-86-(trifluoromethyl)-1h-indazol-3-amine2250-55-7MFCD034266956-(trifluoromethyl)-1H-indazol-3-ylamineSCHEMBL26626773-amino-6-trifluoromethylindazoleDTXSID70355872AR-1L3889SBB092734

이름 더 보기

3-아미노-6-(트리플루오로메틸)-1H-인다졸6-TRIFLUOROMETHYL-1H-INDAZOLYLAMINE3-amino-6-trifluoromethyl-1-indazole1H-Indazol-3-amine, 6-(trifluoromethyl)-6-(trifluoromethyl)-1H-indoleazole-3-amine

AKOS005070794SB163146-trifluoro methyl-1H-indazole-3-amine6-(trifluoromethyl)-1H-indazole-3-amineSY2296176-(trifluoromethyl)-1H-indazole-3-ylamineCS-0213455EN300-7409110

데이터베이스 식별자

CAS: 2250-55-7
PubChem CID: 817909
DTXSID: DTXSID70355872
EC Number: 640-867-8

물성

구조 계산 물성

XLogP: 2.1
극성 표면적: 54.7 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 5
회전 가능 결합 수: 0
무거운 원자 수: 14
형식 전하: 0
복잡도: 218

물리화학적 성질

녹는점: 170 · 170-172°
끓는 점: 358.5 · 358.5±37.0 °C(Predicted)
밀도: 1.536 · 1.536±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C, protect from light
물리적 상태: 결정성 분말
산도 계수 (pKa): 13.05 · 13.05±0.40(Predicted)
색상: 노란색에서 갈색으로

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, P317, 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.