CAS 7467-35-8 (1-methyl-1H-1,3-benzodiazol-2-yl)methanol (HCID 344177)

基本情報

CAS: 7467-35-8
標準SMILES: Cn1c(CO)nc2ccccc21
InChIKey: SQRSIOZFPSFABI-UHFFFAOYSA-N
分子式: C9H10N2O
平均分子量: 162.19 g/mol
単同位体質量: 162.07931294

名称と識別子

優先名称: (1-methyl-1H-1,3-benzodiazol-2-yl)methanol
IUPAC: (1-methylbenzimidazol-2-yl)methanol
現地名: (1-メチル-1H-ベンズイミダゾール-2-イル)メタノール
英語名: (1-METHYL-1H-BENZOIMIDAZOL-2-YL)-METHANOL
分子式: C9H10N2O
分子量: 162.19

名称と別名

(1-methyl-1H-1,3-benzodiazol-2-yl)methanolRefChem:392301865-320-27467-35-8(1-methyl-1H-benzimidazol-2-yl)methanol(1-Methyl-1H-benzoimidazol-2-yl)-methanol(1-methyl-1H-benzo[d]imidazol-2-yl)methanol(1-methylbenzimidazol-2-yl)methanolMFCD004640511H-Benzimidazole-2-methanol, 1-methyl-(1-Methyl-2-benzimidazolyl)methanolF0853-0190

名称をさらに表示

(1-メチル-1H-ベンズイミダゾール-2-イル)メタノール1H-Benzimidazole-2-methanol,1-methyl-(9CI)(1-Methyl-1H-benzoimidazol-2-yl)-methanol - [M88478](1-methyl-1H-benzimidazol-2-yl)methanol(SALTDATA: FREE)

(1-methyl-1H-1,3-benzimidazol-2-yl)methanol1-Methyl-2-hydroxymethylbenzimidazole; 2-Hydroxymethyl-1-methyl-1H-benzimidazole; NSC 400948(1-methylbenzimidazol-2-yl)methan-1-olT1UNSC400948BAS 00731224ChemDiv3_011430SCHEMBL104281

データベース識別子

CAS: 7467-35-8
PubChem CID: 344177
DTXSID: DTXSID90322304
EC Number: 865-320-2
Nikkaji: J3.716.710J

物性

構造計算による物性

XLogP: 0.6
極性表面積: 38.1 Å²
水素結合供与体数: 1
水素結合受容体数: 2
回転可能結合数: 1
重原子数: 12
形式電荷: 0
複雑度: 163

物理化学的性質

貯蔵温度: Sealed in dry,Room Temperature

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

危険有害性情報

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

安全データ

hs_code: 2933998090
hazard_class: IRRITANT

化学と産業

応用分野 · 1 件

使用1-Methyl-1H-benzimidazole-2-methanol acts as a reagent in the synthesis, structure-activity relationship, antibacterial and antifungal activities of benzimidazoles. Design, synthesis and computational validation of novel benzimidazole/indole-based PPARα and PPARβ partial agonists.