5-FLUORO-2-METHYLPHENYL이소티오시아네이트

5-Fluoro-o-tolyl Isothiocyanate

HCID 519443CAS 175205-39-7

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: Cc1ccc(F)cc1N=C=S
InChIKey: QVCYTKXGZLOVFA-UHFFFAOYSA-N
분자식: C8H6FNS
평균 분자량: 167.21 g/mol
단동위원소 질량: 167.02049841

이름 및 식별자

우선 이름: 5-Fluoro-o-tolyl Isothiocyanate
IUPAC: 4-fluoro-2-isothiocyanato-1-methylbenzene
현지명: 5-FLUORO-2-METHYLPHENYL이소티오시아네이트
영어명: 5-Fluoro-2-methylphenyl isothiocyanate
분자식: C8H6FNS
분자량: 167.2

이름 및 동의어

4-Fluoro-2-isothiocyanato-1-methylbenzene5-Fluoro-o-tolyl IsothiocyanateRefChem:535967670-562-55-Fluoro-2-methylphenyl isothiocyanate175205-39-72-methyl-5-fluorophenylisothiocyanate2-methyl-5-fluorophenyl isothiocyanateMFCD000468005-Fluoro-2-methylphenylisothiocyanateBenzene, 4-fluoro-2-isothiocyanato-1-methyl-Isothiocyanic Acid 5-Fluoro-o-tolyl Ester

이름 더 보기

5-FLUORO-2-METHYLPHENYL이소티오시아네이트5-Fluoro-o-tolylIsothiocyanate>5-Fluoro-2-methylphenyl isothiocyate5-Fluoro-2-methylphenylisothiocyanate97%5-Fluoro-2-methylphenyl isothiocyanate 97%

DTXSID703340265-fluoro-2-methylphenyl-isothiocyanateEN300-1263631A8119404-FLUORO-2-ISOTHIOCYANATO-1-METHYL-BENZENESCHEMBL1020719SCHEMBL294018005-fluoro-2-methylbenzenisothiocyanate

데이터베이스 식별자

CAS: 175205-39-7
PubChem CID: 519443
DTXSID: DTXSID70334026
EC Number: 670-562-5

물성

구조 계산 물성

XLogP: 3.8
극성 표면적: 44.5 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 11
형식 전하: 0
복잡도: 177

물리화학적 성질

끓는 점: 101 · 101/20mm
밀도: 1.2 · 1.20
굴절률: 1.608 · 1.6080-1.6120
인화점: 105 ℃ · 105℃
물리적 상태: 투명한 액체
색상: Light orange to Yellow to Green

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (50%): 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.