1H-苯并咪唑-5-甲醇

5-(Hydroxymethyl)-1H-benzimidazole

HCID 13505556CAS 106429-29-2

子结构检索查找相似结构

基本信息

标准SMILES: OCc1ccc2nc[nH]c2c1
InChIKey: ITPDIGZAMXKBCF-UHFFFAOYSA-N
分子式: C8H8N2O
平均分子量: 148.16 g/mol
单同位素质量: 148.06366288

概述

1H-benzimidazol-5-ylmethanol is a member of benzimidazoles.

名称与标识

首选名称: 5-(Hydroxymethyl)-1H-benzimidazole
IUPAC: 3H-benzimidazol-5-ylmethanol
中文名: 1H-苯并咪唑-5-甲醇
英文名: 1H-Benzimidazol-5-ylmethanol
分子式: C8H8N2O
分子量: 148.16

名称与别名

5-(Hydroxymethyl)-1H-benzimidazoleRefChem:531285640-744-9106429-29-21H-benzimidazol-5-ylmethanol3H-benzimidazol-5-ylmethanol(1H-benzo[d]imidazol-5-yl)methanolMFCD08690267(1H-1,3-benzodiazol-5-yl)methanol1H-Benzimidazole-5-methanolbenzimidazole-5-methanol5-hydroxymethylbenzimidazole

展开更多名称

5-羟甲基苯并咪唑1H-苯并咪唑-5-甲醇5-羟甲基-1H-苯并咪唑1H-Benzimidazole-6-methanol1H-Benzimidazole-5-methanol(9CI)5-(HYDROXYMETHYL)-1H-BENZIMIDAZOLE 975-(Hydroxymethyl)-1H-benzimidazole 97%

A1ED45-hydroxymethyl benzimidazolebenzimidazol-5-ylmethan-1-ol1H-benzimidazol-6-yl methanolorb3030616SCHEMBL1254936SCHEMBL3154557SCHEMBL6600649

数据库标识

CAS: 106429-29-2
PubChem CID: 13505556
DTXSID: DTXSID00542495
ChEBI: CHEBI:194814
EC Number: 640-744-9

性质

结构计算性质

XLogP: 0.4
极性表面积: 48.9 Å²
氢键供体: 2
氢键受体: 2
可旋转键: 1
重原子: 11
形式电荷: 0
复杂度: 140

物理化学性质

熔点: 128.5 · 128.5-131
沸点: 469.5 · 469.5±20.0 °C(Predicted)
密度: 1.36 · 1.360±0.06 g/cm3(Predicted)
储存条件: 2 · 2-8°C, protect from light
酸度系数(pKa): 12.48 · 12.48±0.10(Predicted)
形态: solid
外观: Light brown to brown Solid
InChI: 1S/C8H8N2O/c11-4-6-1-2-7-8(3-6)10-5-9-7/h1-3,5,11H,4H2,(H,9,10)
InChIKey: ITPDIGZAMXKBCF-UHFFFAOYSA-N
SMILES: OCc1ccc2[nH]cnc2c1

安全与法规

GHS分类

GHS Classification · 4 条

Danger

H302 (50%): 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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危害信息

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

安全数据

wgk: WGK 3
hazard_note: Harmful
存储类别: 11 - Combustible Solids
安全说明: 22-26-36/37/39-39
海关编码: 2933998090
危险品标志: Xn,Xi
危险性类别: Eye Dam. 1Skin Irrit. 2STOT SE 3
危险类别码: 20/21/22-36/37/38-41-37/38

化学与工业

上下游产品信息

上游原料

试剂价格

XW0210642929204 · 5G: 1H-苯并咪唑-5-甲醇 — 1411元
XW0210642929203 · 1G: 1H-苯并咪唑-5-甲醇 — 294元

供应商50 家

上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]

Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]

T&W GROUP021-61551611 13296011611 · [email protected]

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