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
• UNSPSC Code: 41116107
• NACRES: NA.21
• PubChem Substance ID: 57647873
• EC Number: 249-042-3
• Beilstein/REAXYS Number: 878167
• MDL number: MFCD02179352
• Assay: 98-100.5% (calc with ref. to anhyd. subst.)
• Form: solid

Propriétés

• Quality Segment: 200
• assay: 98-100.5% (calc with ref. to anhyd. subst.)
• form: solid
• quality: meets analytical specification of Ph. Eur., BP, NF
• impurities: ≤0.002% heavy metals (as Pb), 4.5-5.5% water (Karl Fischer)
• ign. residue: ≤0.1% (as SO₄)
• mp: 76-80 °C
• anion traces: chloride (Cl^-): ≤100 mg/kg
• application(s): pharmaceutical (small molecule)
• SMILES string: 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

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.

Biochem/physiol Actions

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

• pictograms: GHS07
• signalword: Warning
• hcodes: H302
• pcodes: P264 - P270 - P301 + P312 - P501
• Hazard Classifications: Acute Tox. 4 Oral
• Classe de stockage: 11 - Combustible Solids
• wgk: WGK 3
• flash_point_f: 212.0 °F - closed cup
• flash_point_c: 100 °C - closed cup
• ppe: dust mask type N95 (US), Eyeshields, Gloves