1-メチル-1H-ベンゾイミダゾール

1H-Benzimidazole, 1-methyl-

HCID 95890CAS 1632-83-3

部分構造検索類似構造を探す

基本情報

標準SMILES: Cn1cnc2ccccc21
InChIKey: FGYADSCZTQOAFK-UHFFFAOYSA-N
分子式: C8H8N2
平均分子量: 132.16 g/mol
単同位体質量: 132.06874826

名称と識別子

優先名称: 1H-Benzimidazole, 1-methyl-
IUPAC: 1-methylbenzimidazole
現地名: 1-メチル-1H-ベンゾイミダゾール
英語名: 1-Methylbenzimidazole
分子式: C8H8N2
分子量: 132.16

名称と別名

1-methylbenzimidazole1632-83-31H-Benzimidazole, 1-methyl-1-Methyl-1H-benzimidazole12LW89N19YNSC-42115nsc 42115DTXSID90167530RefChem:438075DTXCID2090021605-321-5InChI=1/C8H8N2/c1-10-6-9-7-4-2-3-5-8(7)10/h2-6H,1H

名称をさらに表示

N-メチルベンゾイミダゾール1-メチル-1H-ベンゾイミダゾール1-メチルベンゾイミダゾール1-メチルベンズイミダゾール1-メチルベンズイミダゾール, 99%1-メチル-1H-1,3-ベンゾジアゾールN-Methylbenzimidazole1-Methylbenzimidazole>1-MethylbenziMidazole 99%1-Methyl-1H-benzimidazole 98%

MFCD001922751-methyl-1H-1,3-benzodiazole1-methyl benzimidazoleUNII-12LW89N19Y1-methyl-1H-benzo[d]imidazoleNSC421151 -methylbenzimidazole1-methyl-benzimidazole

データベース識別子

CAS: 1632-83-3
PubChem CID: 95890
DTXSID: DTXSID90167530
ChEMBL: CHEMBL345855
UNII: 12LW89N19Y
EC Number: 605-321-5
Nikkaji: J324.896H

物性

構造計算による物性

XLogP: 1.4
極性表面積: 17.8 Å²
水素結合供与体数: 0
水素結合受容体数: 1
回転可能結合数: 0
重原子数: 10
形式電荷: 0
複雑度: 124

実験および物理化学的性質

LogP1.34

物理化学的性質

融点: 59 · 59-62 °C(lit.)
沸点: 154 °C12 · 154 °C12 mm Hg(lit.)
比重(密度): 1.1254 · 1.1254
屈折率: 1.6013 · 1.6013
闪点: 154 °C/12mm · 154°C/12mm
貯蔵温度: Keep in dark place,Sealed in dry,Room Temperature
溶解性: メタノールに可溶。
外見: 個体
酸解離定数(Pka): 5.4 · 5.40±0.10(Predicted)
色: 白からピンク
InChI: InChI=1S/C8H8N2/c1-10-6-9-7-4-2-3-5-8(7)10/h2-6H,1H3
InChIKey: FGYADSCZTQOAFK-UHFFFAOYSA-N
SMILES: C1N(C)C2=CC=CC=C2N=1
CAS データベース: 1632 · 1632-83-3(CAS DataBase Reference)

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H302 (91.1%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 4 (91.1%)

安全データ

wgk: 3
hs_code: 29339980
risk_code: 22-37/38-41
hazard_code: Xn
safety_code: 26-36/39
Hazard Classifications: Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2STOT SE 3
ストレージクラス: 11 - Combustible Solids

化学と産業

応用分野

使用1-Methylbenzimidazole is the suitable reagent used as electrolyte additive for the dye-sensitized solar cells and solid-state dye-sensitized solar cells.

一般的な説明1-Methylbenzimidazole is a heterocyclic building block. Effect of the interaction between 1-methylbenzimidazole (MBI) with Li+ and TiO2 on the performance of dye-sensitized solar cells has been investigated.