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.)

• Sinónimos: β,β,β-Trichloro-tert-butyl alcohol hemihydrate, ‘Acetone chloroform’, ‘Chlorobutanol’
• Fórmula lineal: Cl₃CC(CH₃)₂OH · 0.5H₂O
• Número de CAS: 6001-64-5
• Peso molecular: 186.46
• Beilstein: 878167
• Número CE: 249-042-3
• Número MDL: MFCD02179352
• Código UNSPSC: 41116107
• ID de la sustancia en PubChem: 57647873
• NACRES: NA.21

Propiedades

• Nivel de calidad: 200
• Análisis: 98-100.5% (calc with ref. to anhyd. subst.)
• formulario: solid
• calidad: meets analytical specification of Ph. Eur., BP, NF
• impurezas: ≤0.002% heavy metals (as Pb); 4.5-5.5% water (Karl Fischer)
• residuo de ign.: ≤0.1% (as SO₄)
• mp: 76-80 °C
• trazas de anión: chloride (Cl^-): ≤100 mg/kg
• aplicaciones: pharmaceutical (small molecule)
• cadena 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
• Clave InChI: WRWLCXJYIMRJIN-UHFFFAOYSA-N

Descripción

Aplicación

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.

Acciones bioquímicas o fisiológicas

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.

Información de seguridad

• Pictogramas: GHS07
• Palabra de señalización: Warning
• Frases de peligro: H302
• Consejos de prudencia: P264 - P270 - P301 + P312 - P501
• Clasificaciones de peligro: Acute Tox. 4 Oral
• Código de clase de almacenamiento: 11 - Combustible Solids
• Clase de riesgo para el agua (WGK): WGK 3
• Punto de inflamabilidad (°F): 212.0 °F - closed cup
• Punto de inflamabilidad (°C): 100 °C - closed cup
• Equipo de protección personal: dust mask type N95 (US), Eyeshields, Gloves