4-(Trifluoromethyl)thiophenol

HCID 136653CAS 825-83-2

기본 정보

표준 SMILES: FC(F)(F)c1ccc(S)cc1
InChIKey: WCMLRSZJUIKVCW-UHFFFAOYSA-N
분자식: C7H5F3S
평균 분자량: 178.18 g/mol
단동위원소 질량: 178.00640582

이름 및 식별자

우선 이름: 4-(Trifluoromethyl)thiophenol
IUPAC: 4-(trifluoromethyl)benzenethiol
영어명: 4-(Trifluoromethyl)thiophenol
분자식: C7H5F3S
분자량: 178.17

이름 및 동의어

4-(Trifluoromethyl)thiophenol825-83-2DTXSID90231801RefChem:97592DTXCID80154292WCMLRSZJUIKVCW-UHFFFAOYSA-N4-(trifluoromethyl)benzenethiol4-(trifluoromethyl)benzene-1-thiol4-Trifluoromethyl thiophenolMFCD000423204-Mercaptobenzotrifluoride4-(trifluoromethyl)benzenethiolate

이름 더 보기

TFMTP4-(Trifluoromethylthio)phenolp-(Trifluoromethyl)benzenethiol4-(Trifluoromethyl)thiophenol97%

4-(Trifluoromethyl)TBenzenethiol, 4-(trifluoromethyl)-4-trifluoromethylthiophenol4-trifluoromethylbenzenethiol4trifluoromethylbenzenethiol4-tri-fluoromethylbenzenethiolSCHEMBL415546SCHEMBL514611

데이터베이스 식별자

CAS: 825-83-2
PubChem CID: 136653
DTXSID: DTXSID90231801
EC Number: 642-878-3
Nikkaji: J309.027B

물성

구조 계산 물성

XLogP: 3.3
극성 표면적: 1 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 0
무거운 원자 수: 11
형식 전하: 0
복잡도: 124

물리화학적 성질

녹는점: 56 · 56-57
끓는 점: 68 · 68-72 °C (15 mmHg)
밀도: 1 · 1,3 g/cm3
굴절률: 1.492 · 1.492-1.494
인화점: 66 · 66-68°C/15mm
저장 조건: 2 · Inert atmosphere,2-8°C
물리적 상태: 액체
산도 계수 (pKa): 5.6 · 5.60±0.10(Predicted)
색상: 무색투명~연황색
수용성: 물에 불용성.
BRN: 2045665 · 2045665

화학적 성질

clear colorless to light yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 9.1% (1 of 11) of reports.

Danger

H301 (27.3%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 11 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.