2-(메탄올)페놀이소시안산염

1-Isocyanato-2-(methylsulfanyl)benzene

HCID 2736989

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 52260-30-7
표준 SMILES: CSc1ccccc1N=C=O
InChIKey: WQXASSKJZYKJSI-UHFFFAOYSA-N
분자식: C8H7NOS
평균 분자량: 165.21 g/mol
단동위원소 질량: 165.02483484

이름 및 식별자

우선 이름: 1-Isocyanato-2-(methylsulfanyl)benzene
IUPAC: 1-isocyanato-2-methylsulfanylbenzene
현지명: 2-(메탄올)페놀이소시안산염
영어명: 2-(METHYLTHIO)PHENYL ISOCYANATE
분자식: C8H7NOS
분자량: 165.21

이름 및 동의어

1-isocyanato-2-(methylsulfanyl)benzeneRefChem:433309624-968-42-(Methylthio)phenyl isocyanate52260-30-71-isocyanato-2-methylsulfanylbenzene2-(Methylthio)phenylisocyanate1-isocyanato-2-(methylthio)benzeneMFCD000370762-(methylsulphanyl)phenyl isocyanateBenzene, 1-isocyanato-2-(methylthio)-2-methylthiobenzenisocyanate

이름 더 보기

2-(메탄올)페놀이소시안산염BUTTPARK 95\04-252-(Methylsulphanyl)phenyl isocyanate 95+%2-Isocyanatothioanisole, 1-Isocyanato-2-(methylthio)benzene, 2-Isocyanatophenyl methyl sulphide2-Isocyanatothioanisole, 1-Isocyanato-2-(methylsulphanyl)benzene, 2-Isocyanatophenyl methyl sulphide

2-methylthio phenylisocyanateSCHEMBL6236082-methylthio phenyl isocyanateDTXSID60371748WQXASSKJZYKJSI-UHFFFAOYSA-NSBB0879321-isocyanato-2-methylsulfanyl-benzeneAKOS015950710

데이터베이스 식별자

CAS: 52260-30-7
PubChem CID: 2736989
DTXSID: DTXSID60371748
EC Number: 624-968-4

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: 126 °C5 · 126 °C5 mm Hg(lit.)
밀도: 1.21 g/mL · 1.21 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.6(lit.)
인화점: 230 °F · >230 °F

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (100%): 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 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.