5,6-ジクロロ-1-エチル-2-メチルベンズイミダゾール

1H-Benzimidazole, 5,6-dichloro-1-ethyl-2-methyl-

HCID 76717CAS 3237-62-5

部分構造検索類似構造を探す

基本情報

標準SMILES: CCn1c(C)nc2cc(Cl)c(Cl)cc21
InChIKey: IVVLMQPTQOLYDX-UHFFFAOYSA-N
分子式: C10H10Cl2N2
平均分子量: 229.1 g/mol
単同位体質量: 228.02210368

名称と識別子

優先名称: 1H-Benzimidazole, 5,6-dichloro-1-ethyl-2-methyl-
IUPAC: 5,6-dichloro-1-ethyl-2-methylbenzimidazole
現地名: 5,6-ジクロロ-1-エチル-2-メチルベンズイミダゾール
英語名: 5,6-Dichloro-1-ethyl-2-methylbenzimidazole
分子式: C10H10Cl2N2
分子量: 229.11

名称と別名

3237-62-55,6-Dichloro-1-ethyl-2-methyl-1H-benzimidazole1-Ethyl-2-methyl-5,6-dichlorobenzimidazole1H-Benzimidazole, 5,6-dichloro-1-ethyl-2-methyl-EINECS 221-797-3DTXSID0062925RefChem:438078DTXCID7038498221-797-35,6-Dichloro-1-ethyl-2-methylbenzimidazole5,6-dichloro-1-ethyl-2-methyl-1H-benzo[d]imidazoleMFCD00022843

名称をさらに表示

5,6-ジクロロ-1-エチル-2-メチルベンズイミダゾール5,6-ジクロロ-1-エチル-2-メチル-1H-ベンゾイミダゾール5,6-ジクロロ-1-エチル-2-メチルベンゾイミダゾール5,6-ジクロロ-1-エチル-2-メチル-1H-ベンズイミダゾール5,6-ジクロロ-1-エチル-2-メチルベンゾイミダゾール, 98%5,6-ジクロロ-1-エチル-2-メチル-1H-1,3-ベンゾジアゾール1-Ethyl-2-Methyl-5,6-Dichlorodichloroethylmethylbenzimidazole1-ethyl-2-methyl-1H-benzo[d]imidazoleN-ETHYL-2-METHYL-5,6-DICHLOROBENZIMIDAZOLE1-ETHYL-2-METHYL-5,6-DICHLORO BENZIMIDAZOLE5,6-Dichlor-1-ethyl-2-methyl-1H-benzimidazol5,6-dichloro-1-ethyl-2-methyl-1h-benzimidazol5,6-Dichloro-1-ethyl-2-methylbenzimidazole>5,6-dichloro-1-ethyl-2-methyl-1H-Benzimidazole

4JP6U95GAG5,6-dichloro-1-ethyl-2-methyl-benzimidazole5,6-dichloro-1-ethyl-2-methylbenzoimidazoleD25565,6-dichloro-1-ethyl-2-methyl-1H-1,3-benzimidazoleF9995-03395,6-dichloro-1-ethyl-2-methyl-1H-1,3-benzodiazoleCambridge id 5233666

データベース識別子

CAS: 3237-62-5
PubChem CID: 76717
DTXSID: DTXSID0062925
ChEMBL: CHEMBL5489625
UNII: 4JP6U95GAG
EC Number: 221-797-3
Nikkaji: J38.297C

物性

構造計算による物性

XLogP: 3.4
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: 1
重原子数: 14
形式電荷: 0
複雑度: 212

物理化学的性質

融点: 110 °C · 110°C
沸点: 195 °C · 195 °C / 4mmHg
比重(密度): 1.35 · 1.35±0.1 g/cm3(Predicted)
貯蔵温度: Store at room temperature
溶解性: soluble in Methanol
外見: powder to crystal
酸解離定数(Pka): 4.59 · 4.59±0.25(Predicted)
色: White to Light yellow to Light orange
CAS データベース: 3237 · 3237-62-5(CAS DataBase Reference)
EPAの化学物質情報: 1 H-Benzimidazole, · 1H-Benzimidazole, 5,6-dichloro-1-ethyl-2-methyl- (3237-62-5)

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H300 (97.5%): Fatal if swallowed [Danger Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 3 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. 2 (97.5%)

安全データ

tsca: TSCA listed
hs_code: 2933998090
risk_code: 36/37/38
化審法: (5)-464
hazard_code: Xi
safety_code: 26-36/37/39-/37/39-36-27

化学と産業

用途と製造

General Manufacturing Information1H-Benzimidazole, 5,6-dichloro-1-ethyl-2-methyl-: ACTIVE

応用分野

用途有機合成原料。

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