20801

1,1,1-トリクロロ-2-メチル-2-プロパノール ヘミ水和物

meets analytical specification of Ph. Eur., BP, NF, 98-100.5% (calc with ref. to anhyd. subst.)

• 別名: β,β,β-トリクロロ-tert-ブチルアルコール ヘミ水和物, アセトンクロロホルム, クロロブタノール
• 化学式: Cl₃CC(CH₃)₂OH · 0.5H₂O
• CAS番号: 6001-64-5
• 分子量: 186.46
• Beilstein: 878167
• EC Number: 249-042-3
• MDL番号: MFCD02179352
• UNSPSCコード: 41116107
• PubChem Substance ID: 57647873
• NACRES: NA.21

特性

• 品質水準: 200
• アッセイ: 98-100.5% (calc with ref. to anhyd. subst.)
• 形状: solid
• 品質: meets analytical specification of Ph. Eur., BP, NF
• 不純物: ≤0.002% heavy metals (as Pb); 4.5-5.5% water (Karl Fischer)
• 強熱残分: ≤0.1% (as SO₄)
• mp: 76-80 °C
• 微量陰イオン: chloride (Cl^-): ≤100 mg/kg
• アプリケーション: pharmaceutical (small molecule)
• SMILES記法: O.CC(C)(O)C(Cl)(Cl)Cl.CC(C)(O)C(Cl)(Cl)Cl
• InChI: 1S/2C4H7Cl3O.H2O/c2*1-3(2,8)4(5,6)7;/h2*8H,1-2H3;1H2
• InChI Key: WRWLCXJYIMRJIN-UHFFFAOYSA-N

詳細

アプリケーション

1,1,1-Trichloro-2-methyl-2-propanol hemihydrate (chlorobutanol) is a preservative used as a standard for quantifying preservatives in pharmaceutical formulations by using capillary electrophoretic method. It has also been used to anesthetize leeches for preparing c-DNA library from regenerating retzius cells.

生物化学的／生理学的作用

Chlorobutanol or 1,1,1-Trichloro-2-methyl-2-propanol is a opthalmic preservative and sedative hypnotic that possess antibacterial and antifungal properties. It also decreases the conduction velocity and induces conduction failure and automaticity within isolated ventricular muscle strips as well as impacts myocardial cells by acting on cell membrane and reduces isometric tension produced by heart.

安全性情報

• ピクトグラム: GHS07
• シグナルワード: Warning
• 危険有害性情報: H302
• 注意書き: P264 - P270 - P301 + P312 - P501
• 危険有害性の分類: Acute Tox. 4 Oral
• 保管分類コード: 11 - Combustible Solids
• WGK: WGK 3
• 引火点(°F): 212.0 °F - closed cup
• 引火点(℃): 100 °C - closed cup
• 個人用保護具 (PPE): dust mask type N95 (US), Eyeshields, Gloves