3-(Trifluoromethyl)benzyl mercaptan

HCID 141236

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 25697-55-6
표준 SMILES: FC(F)(F)c1cccc(CS)c1
InChIKey: CQIQWIMXCPTQPJ-UHFFFAOYSA-N
분자식: C8H7F3S
평균 분자량: 192.2 g/mol
단동위원소 질량: 192.02205588

이름 및 식별자

우선 이름: 3-(Trifluoromethyl)benzyl mercaptan
IUPAC: [3-(trifluoromethyl)phenyl]methanethiol
영어명: 3-(Trifluoromethyl)benzyl mercaptan
분자식: C8H7F3S
분자량: 192.2

이름 및 동의어

25697-55-6[3-(Trifluoromethyl)phenyl]methanethiol3-(Trifluoromethyl)benzyl mercaptan(3-(Trifluoromethyl)phenyl)methanethiolDTXSID60180392RefChem:496381DTXCID70102883671-737-93-(trifluoromethyl)benzylthiol3-(trifluoromethyl)phenylmethanethiol3-Trifluoromethylbenzyl mercaptanMFCD00042435

이름 더 보기

3-(Trifluoromethyl)benzylthiol95%3-(Trifluoromethyl)benzylthiol 95%3-(trifluoromethyl)-à-toluenethiol3--Trifluoromethyl-phenyl-methaneth3-(Trifluoromethyl)benzylthiol, tech3-Trifluoromethylbenzenemethanethiol3-(Trifluoromethyl)toluene-alpha-thiol3-(Trifluoromethyl)-alpha-toluenethiol

m-Trifluoromethylbenzyl mercaptan[3-(trifluoromethyl)phenyl]methane-1-thiolSCHEMBL26973-Trifluoromethyl benzylthiolm-trifluoromethylbenzylmercaptanSCHEMBL11454883-(trifluoromethyl)benzyl thiolSCHEMBL29460217

데이터베이스 식별자

CAS: 25697-55-6
PubChem CID: 141236
DTXSID: DTXSID60180392
EC Number: 671-737-9
Nikkaji: J267.232D

물성

구조 계산 물성

XLogP: 3.2
극성 표면적: 1 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 1
무거운 원자 수: 12
형식 전하: 0
복잡도: 144

물리화학적 성질

끓는 점: 79 °C · 79 °C
밀도: 1.253 · 1.253±0.06 g/cm3(Predicted)
굴절률: 1.49 · 1.49
인화점: 75 · 75-77°C/5mm
산도 계수 (pKa): 9.47 · 9.47±0.25(Predicted)
물리적 상태: 액체
색상: 투명한
BRN: 2520097 · 2520097

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H227 (28.6%): Combustible liquid [Warning Flammable liquids]

P210, 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, P370+P378, P403, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 7 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.