20801

1,1,1-Trichloro-2-methyl-2-propanol hemihydrate

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

• Synonyme(s) : β,β,β-Trichloro-tert-butyl alcohol hemihydrate, ‘Acetone chloroform’, ‘Chlorobutanol’
• Formule linéaire : Cl₃CC(CH₃)₂OH · 0.5H₂O
• Numéro CAS: 6001-64-5
• Poids moléculaire : 186.46
• Numéro Beilstein : 878167
• Numéro CE : 249-042-3
• Numéro MDL: MFCD02179352
• Code UNSPSC : 41116107
• ID de substance PubChem : 57647873
• Nomenclature NACRES : NA.21

Propriétés

• Niveau de qualité: 200
• Pureté: 98-100.5% (calc with ref. to anhyd. subst.)
• Forme: solid
• Qualité: meets analytical specification of Ph. Eur., BP, NF
• Impuretés: ≤0.002% heavy metals (as Pb); 4.5-5.5% water (Karl Fischer)
• Résidus de calcination: ≤0.1% (as SO₄)
• Pf: 76-80 °C
• Traces d'anions: chloride (Cl^-): ≤100 mg/kg
• Application(s): pharmaceutical (small molecule)
• Chaîne SMILES: 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
• Clé InChI: WRWLCXJYIMRJIN-UHFFFAOYSA-N

Description

Application

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.

Actions biochimiques/physiologiques

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.

Informations sur la sécurité

• Pictogrammes: GHS07
• Mention d'avertissement: Warning
• Mentions de danger: H302
• Conseils de prudence: P264 - P270 - P301 + P312 - P501
• Classification des risques: Acute Tox. 4 Oral
• Code de la classe de stockage: 11 - Combustible Solids
• Classe de danger pour l'eau (WGK): WGK 3
• Point d'éclair (°F): 212.0 °F - closed cup
• Point d'éclair (°C): 100 °C - closed cup
• Équipement de protection individuelle: dust mask type N95 (US), Eyeshields, Gloves