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

基本情報

CAS: 850375-10-9
標準SMILES: Cc1csc(N=C=O)c1
InChIKey: HFCFFLWPIFNGCX-UHFFFAOYSA-N
分子式: C6H5NOS
平均分子量: 139.18 g/mol
単同位体質量: 139.00918478

名称と識別子

優先名称: 2-Isocyanato-4-methylthiophene
IUPAC: 2-isocyanato-4-methylthiophene
英語名: 4-METHYL 2-THIENYL ISOCYANATE
分子式: C6H5NOS
分子量: 139.18

名称と別名

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

名称をさらに表示

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

SCHEMBL1023821HFCFFLWPIFNGCX-UHFFFAOYSA-NSBB086098AKOS006223175DB-056842EN300-272520G36451

データベース識別子

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

物性

構造計算による物性

XLogP: 3.1
極性表面積: 57.7 Å²
水素結合供与体数: 0
水素結合受容体数: 3
回転可能結合数: 1
重原子数: 9
形式電荷: 0
複雑度: 142

物理化学的性質

沸点: 54 · 54-56/3mm
比重(密度): 1.19 · 1.19±0.1 g/cm3(Predicted)

安全と法規制

GHS分類

GHS Classification · 4 件

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.