CAS 1849-01-0 1-methyl-2,3-dihydro-1H-1,3-benzodiazol-2-one (HCID 590540)

基本情報

CAS: 1849-01-0
標準SMILES: Cn1c(=O)[nH]c2ccccc21
InChIKey: PYEHNKXDXBNHQQ-UHFFFAOYSA-N
分子式: C8H8N2O
平均分子量: 148.16 g/mol
単同位体質量: 148.06366288

名称と識別子

優先名称: 1-methyl-2,3-dihydro-1H-1,3-benzodiazol-2-one
IUPAC: 3-methyl-1H-benzimidazol-2-one
現地名: 1-メチル-2-ベンズイミダゾリノン
英語名: 1-Methyl-2-benzimidazolinone
分子式: C8H8N2O
分子量: 148.16

名称と別名

1-methyl-2,3-dihydro-1H-1,3-benzodiazol-2-oneRefChem:433944640-132-11849-01-01-Methyl-2-benzimidazolinone1-Methyl-1H-benzo[d]imidazol-2(3H)-one3-methyl-1H-benzimidazol-2-one1,3-Dihydro-1-methyl-2H-benzimidazol-2-one1-methyl-1,3-dihydro-2H-benzimidazol-2-oneMFCD001426541-Methylbenzimidazol-2(3H)-one102976-63-6

名称をさらに表示

1-メチル-2-ベンズイミダゾリノン1‐メチル‐2‐ベンズイミダゾリノン1,3-ジヒドロ-1-メチル-2H-ベンズイミダゾール-2-オン1-メチル-1H-ベンゾイミダゾール-2(3H)-オン1-メチル-1,3-ジヒドロ-2H-ベンゾイミダゾール-2-オン1-メチル-2,3-ジヒドロ-1H-ベンゾイミダゾール-2-オン1-メチル-2,3-ジヒドロ-1H-1,3-ベンゾジアゾール-2-オン3-メチル-1H-ベンゾイミダゾール-2(3H)-オンAKOS 90531-2-benzimidazoLRARECHEM AQ NN 01011-Methylbenzimidazol-2-ol1-Methyl-2-benzimidazolone3-Methyl-2-benzimidazoloneN-Methyl-2-benzimidazolinone

2H-Benzimidazol-2-one, 1,3-dihydro-1-methyl-1H-Benzimidazol-2-ol,1-methyl-(9CI)N-methylbenzimidazolone1-methylbenzimidazoloneN-methylbenzimidazolinone3-methyl-2-oxobenzimidazoleSCHEMBL104742SCHEMBL179064

データベース識別子

CAS: 1849-01-0
PubChem CID: 590540
DTXSID: DTXSID90343559
EC Number: 640-132-1
Nikkaji: J726.464J

物性

構造計算による物性

XLogP: 0.7
極性表面積: 32.3 Å²
水素結合供与体数: 1
水素結合受容体数: 1
回転可能結合数: 0
重原子数: 11
形式電荷: 0
複雑度: 181

物理化学的性質

融点: 192 · 192-196 °C
沸点: 268.75 °C · 268.75°C (rough estimate)
比重(密度): 1.1828 · 1.1828 (rough estimate)
屈折率: 1.6 · 1.6000 (estimate)
貯蔵温度: Inert atmosphere,Room Temperature
外見: 結晶性粉末
酸解離定数(Pka): 12.29 · 12.29±0.30(Predicted)
色: 白～ややベージュ

化学的性質

化学的特性White to slightly beige crystalline powder

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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

Aggregated GHS information provided per 30 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.