2,5-ジクロロ-1H-ベンズイミダゾール

2,5-Dichlorobenzimidazole

HCID 335473CAS 4887-95-0

部分構造検索類似構造を探す

基本情報

標準SMILES: Clc1ccc2nc(Cl)[nH]c2c1
InChIKey: LLIARSREYVCQHL-UHFFFAOYSA-N
分子式: C7H4Cl2N2
平均分子量: 187.029 g/mol
単同位体質量: 185.97515349

名称と識別子

優先名称: 2,5-Dichlorobenzimidazole
IUPAC: 2,6-Dichloro-1H-benzimidazole
現地名: 2,5-ジクロロ-1H-ベンズイミダゾール
英語名: 2,5-Dichlorobenzimidazole
分子式: C7H4Cl2N2
分子量: 187.03

名称と別名

2,5-ジクロロ-1H-ベンズイミダゾール2,6-ジクロロ-1H-ベンズイミダゾールBenzoimidazoleseries2,5-Dichlorobenzimidazole2,5-Dichlorobenzoimidazole2,5-DICHLORO-1H-BENZIMIDAZOLE2,6-Dichloro-1H-benzimidazole2,5-Dichloro-1H-benzoiMidazole1H-Benzimidazole, 2,6-dichloro-2,6-dichloro-1H-1,3-benzodiazole2,5-dichloro-1H-1,3-benzodiazole2,5-dichloro-1H-benzo[d]imidazole

データベース識別子

CAS: 4887-95-0
PubChem CID: 335473
DTXSID: DTXSID90319416
UNII: 85UMR74GY9
EC Number: 839-594-9

物性

構造計算による物性

XLogP: 3.2
極性表面積: 28.7 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: 153

物理化学的性質

融点: 207 · 207-208 °C (decomp)
沸点: 364.5 · 364.5±34.0 °C(Predicted)
比重(密度): 1.571 · 1.571±0.06 g/cm3(Predicted)
貯蔵温度: 2 · 2-8°C
外見: solid
酸解離定数(Pka): 8.11 · 8.11±0.10(Predicted)
InChI: InChI=1S/C7H4Cl2N2/c8-4-1-2-5-6(3-4)11-7(9)10-5/h1-3H,(H,10,11)
InChIKey: LLIARSREYVCQHL-UHFFFAOYSA-N
SMILES: C1(Cl)NC2=CC(Cl)=CC=C2N=1

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H317 (50%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]；H400 (50%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]；H410 (50%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]

P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P391, 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.；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.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 4 (50%)；Skin Irrit. 2 (100%)；Skin Sens. 1 (50%)；Eye Irrit. 2 (100%)；STOT SE 3 (50%)；Aquatic Acute 1 (50%)；Aquatic Chronic 1 (50%)

安全データ

wgk: WGK 3
hs_code: 2933998090
Hazard Classifications: Aquatic Acute 1Aquatic Chronic 1Eye Irrit. 2Skin Irrit. 2Skin Sens. 1
ストレージクラス: 11 - Combustible Solids