CAS 850375-10-9 2-Isocyanato-4-methylthiophene (HCID 7127801)

기본 정보

CAS: 850375-10-9
표준 SMILES: Cc1csc(N=C=O)c1
InChIKey: HFCFFLWPIFNGCX-UHFFFAOYSA-N
분자식: C6H5NOS
평균 분자량: 139.18 g/mol
단동위원소 질량: 139.00918478

이름 및 식별자

우선 이름: 2-Isocyanato-4-methylthiophene
IUPAC: 2-isocyanato-4-methylthiophene
현지명: 4-메틸2-티에닐이소시아네이트
영어명: 4-METHYL 2-THIENYL ISOCYANATE
분자식: C6H5NOS
분자량: 139.18

이름 및 동의어

2-isocyanato-4-methylthiophene850375-10-9DTXSID90427803RefChem:262300DTXCID203786372-isocyanato-4-methyl-thiopheneMFCD067974704-methyl 2-thienyl isocyanateThiophene,2-isocyanato-4-methyl-4-METHYL-2-THIENYL ISOCYANATE4-methylthiophen-2-isocyanate4-methyl thiophenyl isocyanate

이름 더 보기

4-메틸2-티에닐이소시아네이트4-Methylthien-2-yl isocyanateThiophene, 2-isocyanato-4-methyl-4-Methylthien-2-yl isocyanate 97%

SCHEMBL1023821HFCFFLWPIFNGCX-UHFFFAOYSA-NSBB086098AKOS006223175DB-056842EN300-272520G36451

데이터베이스 식별자

CAS: 850375-10-9
PubChem CID: 7127801
DTXSID: DTXSID90427803
EC Number: 883-676-7

물성

구조 계산 물성

XLogP: 3.1
극성 표면적: 57.7 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 9
형식 전하: 0
복잡도: 142

물리화학적 성질

끓는 점: 54 · 54-56/3mm
밀도: 1.19 · 1.19±0.1 g/cm3(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H227 (100%): Combustible liquid [Warning Flammable liquids]

P210, P233, P260, P261, P264, P264+P265, P270, P271, P272, P280, P284, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P342+P316, P362+P364, P370+P378, P403, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.