3-트리플루오로메틸-4,5,6,7-TETRAHYDRO-1H-인다졸

3-(Trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole

HCID 2802863CAS 35179-55-6

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: FC(F)(F)c1n[nH]c2c1CCCC2
InChIKey: KTULFINKQNWXNY-UHFFFAOYSA-N
분자식: C8H9F3N2
평균 분자량: 190.17 g/mol
단동위원소 질량: 190.07178295

이름 및 식별자

우선 이름: 3-(Trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole
IUPAC: 3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole
현지명: 3-트리플루오로메틸-4,5,6,7-TETRAHYDRO-1H-인다졸
영어명: 3-Trifluoromethyl-4,5,6,7-tetrahydro-1H-indazole
분자식: C8H9F3N2
분자량: 190.17

이름 및 동의어

3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole35179-55-6DTXSID50956624RefChem:496341DTXCID101384583673-809-5890005-22-84,5,6,7-Tetrahydro-3-(trifluoromethyl)-1H-indazole4,5,6,7-Tetrahydro-3-(trifluoromethyl)-2H-indazole3-trifluoromethyl-4,5,6,7-tetrahydro-1h-indazoleMFCD013121813-(trifluoromethyl)-1H-4,5,6,7-tetrahydroindazole

이름 더 보기

3-트리플루오로메틸-4,5,6,7-TETRAHYDRO-1H-인다졸

1H-Indazole, 4,5,6,7-tetrahydro-3-(trifluoromethyl)-CDS1_000236Maybridge1_002524DivK1c_001276SCHEMBL1006964SCHEMBL2745261HMS548K16MFCD06496299

데이터베이스 식별자

CAS: 35179-55-6
PubChem CID: 2802863
DTXSID: DTXSID50956624
EC Number: 673-809-5
Nikkaji: J656.892K

물성

구조 계산 물성

XLogP: 2.4
극성 표면적: 28.7 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 0
무거운 원자 수: 13
형식 전하: 0
복잡도: 192

실험 및 물리화학적 성질

SpringerMaterials Properties19F nuclear magnetic resonance spectrum

물리화학적 성질

녹는점: 121.9 °C · 121.9 °C
끓는 점: 255.6 · 255.6±35.0 °C(Predicted)
밀도: 1.345 · 1.345±0.06 g/cm3(Predicted)
저장 조건: 2 · Storage temp. 2-8°C
산도 계수 (pKa): 11.88 · 11.88±0.20(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H301 (33.3%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P316, 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 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.