3-(트리플루오로메틸)티오페놀

3-(Trifluoromethyl)benzenethiol

HCID 136751CAS 937-00-8

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: FC(F)(F)c1cccc(S)c1
InChIKey: SCURCOWZQJIUGR-UHFFFAOYSA-N
분자식: C7H5F3S
평균 분자량: 178.18 g/mol
단동위원소 질량: 178.00640582

이름 및 식별자

우선 이름: 3-(Trifluoromethyl)benzenethiol
IUPAC: 3-(trifluoromethyl)benzenethiol
현지명: 3-(트리플루오로메틸)티오페놀
영어명: 3-(Trifluoromethyl)thiophenol
분자식: C7H5F3S
분자량: 178.17

이름 및 동의어

3-(trifluoromethyl)benzenethiolRefChem:496374642-470-53-(Trifluoromethyl)thiophenol937-00-83-(trifluoromethyl)benzene-1-thiolm-Trifluoromethylthiophenol3-Trifluoromethylthiophenol3-Trifluoromethyl thiophenolMFCD000411423-trifloromethylthiophenolm-Trifluoromethylbenzenethiol

이름 더 보기

3-(트리플루오로메틸)티오페놀3-(Trifluoromethyl)tm-(Trifluoromethyl)benzenethiol3-(Trifluoromethyl)thiophenol95%3-(Trifluoromethyl)thiophenol 95%

3-Trifluoromethylbenzenethiol3-trifluoromethyl benzene thiol3-MercaptobenzotrifluorideBenzenethiol, 3-(trifluoromethyl)-3-(TrifluoromethylNSC88281m-Trifluormethyl-thiophenolNCIOpen2_001443

데이터베이스 식별자

CAS: 937-00-8
PubChem CID: 136751
DTXSID: DTXSID40239539
EC Number: 642-470-5
Nikkaji: J309.031K

물성

구조 계산 물성

XLogP: 3.5
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: 132

물리화학적 성질

끓는 점: 72 °C · 72 °C
밀도: 1.31 · 1.31
굴절률: 1.49 · 1.49
인화점: 71 · 71-72°C/20mm
저장 조건: 2 · 2-8°C, stored under nitrogen
산도 계수 (pKa): 5.74 · 5.74±0.10(Predicted)
물리적 상태: 투명한 액체
색상: Colorless to Light yellow to Light orange
BRN: 1943114 · 1943114
NIST: M-trifluoromethylthiophenol(937-00-8)

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H227 (11.1%): Combustible liquid [Warning Flammable liquids]

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

Aggregated GHS information provided per 9 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.