基本情報
- CAS
2818-69-1- 標準SMILES
Cc1nc2ccc(Cl)cc2[nH]1- InChIKey
NICFDLORAOTXMD-UHFFFAOYSA-N- 分子式
- C8H7ClN2
- 平均分子量
- 166.61 g/mol
- 単同位体質量
- 166.0297759
概要
5-chloro-2-methyl-1h-benzimidazole appears as light brown solid or fluffy powder. (NTP, 1992)
名称と識別子
- 優先名称
- 5-Chloro-2-methylbenzimidazole
- IUPAC
- 6-chloro-2-methyl-1H-benzimidazole
- 現地名
- 5-クロロ-2-メチルベンゾイミダゾール
- 英語名
- 5-Chloro-2-methylbenzimidazole
- 分子式
- C8H7ClN2
- 分子量
- 166.61
名称と別名
5-Chloro-2-methylbenzimidazole5-Chloro-2-methyl-1H-benzimidazole1H-Benzimidazole, 6-chloro-2-methyl-DTXSID8024787EINECS 220-575-3NSC 60139UNII-XV988Z010HXV988Z010HNSC-601395-Chloro-2-methyl-1H-benzoimidazoleDTXCID004787CHLORO-2-METHYL-1H-BENZIMIDAZOLE, 5-
名称をさらに表示
5-クロロ-2-メチルベンゾイミダゾール6-クロロ-2-メチル-1H-ベンゾイミダゾール2-メチル-5-クロロ-1H-ベンゾイミダゾール5-クロロ-2-メチル-1H-ベンゾイミダゾール2-メチル-6-クロロ-1H-ベンゾイミダゾール5-クロロ-2-メチル-1H-ベンズイミダゾール6-クロロ-2-メチル-1H-1,3-ベンゾジアゾール6-CHLORO-2-METHYL-1H-BENZO[D]IMIDAZOLE5-chloro-2-methyl-1h-benzimidazolBenzimidazole, 5-chloro-2-methyl-2-Methyl-6-chloro-1H-benzimidazole2-Methyl-5-chloro-1H-benzimidazole5(6)-chloro 2-Methyl benziMidazole
RosalinRefChem:102319BENZIMIDAZOLE, 6-CHLORO-2-METHYL-NICFDLORAOTXMD-UHFFFAOYSA-N2818-69-15-chloro-2-methyl-1H-benzo[d]imidazole2-Methyl-5-chlorobenzimidazole6-chloro-2-methyl-1H-benzimidazole
物性
構造計算による物性
- XLogP
- 2.7
- 極性表面積
- 28.7 Ų
- 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
- 151
実験および物理化学的性質
Solubilityless than 1 mg/mL at 70.7 °F (NTP, 1992)
Melting Point387 °F (NTP, 1992)
Physical Description5-chloro-2-methyl-1h-benzimidazole appears as light brown solid or fluffy powder. (NTP, 1992)
物理化学的性質
- 融点
- 197 °C · 197°C
- 沸点
- 374.7 · 374.7±15.0 °C(Predicted)
- 比重(密度)
- 1.351 · 1.351±0.06 g/cm3(Predicted)
- 貯蔵温度
- Sealed in dry,Room Temperature
- 溶解性
- soluble in Methanol
- 外見
- powder to crystal
- 酸解離定数(Pka)
- 10.57 · 10.57±0.10(Predicted)
- 色
- Light yellow to Yellow to Orange
- 水溶解度
- 0.1 g/100 · <0.1 g/100 mL で 21.5 ºC
- 安定性
- 安定。可燃性。強力な酸化剤とは相容れない。
- CAS データベース
- 2818 · 2818-69-1(CAS DataBase Reference)
- EPAの化学物質情報
- 5 · 5-Chloro-2-methylbenzimidazole (2818-69-1)
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Fire HazardsFlash point data for this chemical are not available; however, it is probably combustible. (NTP, 1992)
Reactive GroupAmines, Phosphines, and Pyridines
Reactivity Profile
Amines are chemical bases. They neutralize acids to form salts plus water. These acid-base reactions are exothermic. The amount of heat that is evolved per mole of amine in a neutralization is largely independent of the strength of the amine as a base. Amines may be incompatible with isocyanates, halogenated organics, peroxides, phenols (acidic), epoxides, anhydrides, and acid halides. Flammable gaseous hydrogen is generated by amines in combination with strong reducing agents, such as hydrides.
Air and Water ReactionsInsoluble in water.
Hazard Classes and CategoriesAcute Tox. 4 (100%)
安全と保護具
Fire FightingFires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)
First Aid
化学と産業
用途と製造
General Manufacturing Information1H-Benzimidazole, 6-chloro-2-methyl-: INACTIVE
応用分野
一般的な説明Light brown solid or fluffy powder.
サプライヤー66 社
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
関連反応
2 件
化合物ノート
読み込み中…