2-Isocyanatothiophene

HCID 2776375CAS 2048-57-9

기본 정보

표준 SMILES: O=C=Nc1cccs1
InChIKey: QVLWPBIUVXZGRK-UHFFFAOYSA-N
분자식: C5H3NOS
평균 분자량: 125.15 g/mol
단동위원소 질량: 124.99353472

이름 및 식별자

우선 이름: 2-Isocyanatothiophene
IUPAC: 2-isocyanatothiophene
영어명: 2-Thienyl isocyanate
분자식: C5H3NOS
분자량: 125.15

이름 및 동의어

2-isocyanatothiophene2048-57-9DTXSID10380027RefChem:262309DTXCID503310532-THIENYL ISOCYANATE2-ThienylisocyanateThiophene, 2-isocyanato-MFCD026777002-Thienyl isocyanate, tech gradeisocyanatothiophenethiophen-2-isocyanate

이름 더 보기

BUTTPARK 90\06-30CHEMBRDG-BB 40021972-thiopheneisocyanate2-thienyl isocyanate 85%2-Thienyl isocyanate ,97%2-THIENYL ISOCYANATE, 98+%

thien-2-yl isocyanateThiophene,2-isocyanato-thienyl isocyanate2-thiophene-yl isocyanateSCHEMBL546504SCHEMBL1647904QVLWPBIUVXZGRK-UHFFFAOYSA-NSBB054891

데이터베이스 식별자

CAS: 2048-57-9
PubChem CID: 2776375
DTXSID: DTXSID10380027
EC Number: 876-851-4
Nikkaji: J465.651B

물성

구조 계산 물성

XLogP: 2.7
극성 표면적: 57.7 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 8
형식 전하: 0
복잡도: 120

물리화학적 성질

녹는점: 108 °C · 108 °C
끓는 점: 36 · 36-38°C 1mm
밀도: 1.24 · 1.24±0.1 g/cm3(Predicted)
물리적 상태: 액체

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H227 (50%): 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 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.