3-(메탄올)페놀이소시안산염

3-(Methylthio)phenyl isocyanate

HCID 141418

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 28479-19-8
표준 SMILES: CSc1cccc(N=C=O)c1
InChIKey: BKJABLMNBSVKCV-UHFFFAOYSA-N
분자식: C8H7NOS
평균 분자량: 165.21 g/mol
단동위원소 질량: 165.02483484

이름 및 식별자

우선 이름: 3-(Methylthio)phenyl isocyanate
IUPAC: 1-isocyanato-3-methylsulfanylbenzene
현지명: 3-(메탄올)페놀이소시안산염
영어명: 3-(Methylthio)phenyl isocyanate
분자식: C8H7NOS
분자량: 165.21

이름 및 동의어

3-(Methylthio)phenyl isocyanate28479-19-81-Isocyanato-3-(methylsulfanyl)benzeneDTXSID90182708RefChem:495602DTXCID90105199626-058-21-isocyanato-3-(methylthio)benzeneBenzene, 1-isocyanato-3-(methylthio)-3-Methylthiophenyl isocyanate1-isocyanato-3-methylsulfanylbenzene3-(methylthio)phenylisocyanate

이름 더 보기

3-(메탄올)페놀이소시안산염3-(Methylthio)phenyl isocyanate-96%1-Isocyanato-3-(methylsulphanyl)benzene, 3-Isocyanatophenyl methyl sulphide

MFCD000138631-isocyanato-3-methylsulfanyl-benzene3-methylthiobenzenisocyanatem-methylthiophenyl isocyanateSCHEMBL125319SCHEMBL29638353(3-isocyanatophenyl)(methyl)sulfaneALBB-003045

데이터베이스 식별자

CAS: 28479-19-8
PubChem CID: 141418
DTXSID: DTXSID90182708
EC Number: 626-058-2
Nikkaji: J267.246D

물성

구조 계산 물성

XLogP: 3.2
극성 표면적: 54.7 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 11
형식 전하: 0
복잡도: 165

물리화학적 성질

끓는 점: 130 °C5 · 130 °C5 mm Hg(lit.)
밀도: 1.199 g/mL · 1.199 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.603(lit.)
인화점: 230 °F · >230 °F
물리적 상태: 액체
색상: 투명 무색
수용성: 물에서 가수분해됩니다.
BRN: 387507 · 387507

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P233, P260, P261, P264, P264+P265, P270, P271, P280, P284, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P342+P316, P362+P364, P403, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 47 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.