3-methylbutan-1-ol; trichloromethane

• ChemBase ID: 157917
• Molecular Formular: C6H13Cl3O
• Molecular Mass: 207.52582
• Monoisotopic Mass: 206.00319808
• SMILES: CC(C)CCO.C(Cl)(Cl)Cl
• Canonical SMILES: ClC(Cl)Cl.OCCC(C)C
• InChI: InChI=1S/C5H12O.CHCl3/c1-5(2)3-4-6;2-1(3)4/h5-6H,3-4H2,1-2H3;1H
• InChIKey: BKHZIBWEHPHYAI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-methylbutan-1-ol; trichloromethane
• IUPAC Traditional name: chloroform; isoamyl alcohol
• Synonyms: Chloroform - isoamyl alcohol mixture; 氯仿 - 异戊醇混合物

Database IDs

• MDL Number: MFCD00171265
• PubChem SID: 24855543; 24855544; 162252053
• PubChem CID: 16211727

CALCULATED PROPERTIES

• Acid pKa: 17.16679
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.0923411
• LogD (pH = 7.4): 1.0923411
• Log P: 1.0923411
• Molar Refractivity: 26.6835 cm^3
• Polarizability: 10.557932 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Absorption Wavelength: λ: 260 nm Amax: 0.1; λ: 260 nm Amax: 0.15; λ: 280 nm Amax: 0.07; λ: 280 nm Amax: 0.1

Safety Information

• European Hazard Symbols: Harmful (Xn)
• UN Number: 1888
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 3
• Risk Statements: 22-38-40-48/20/22
• Safety Statements: 36/37
• GHS Pictograms: GHS07; GHS08
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H315-H351-H373
• GHS Precautionary statements: P281
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1888 6.1/PG 3

Product Information

• Purity: ≥99.5% (chloroform + isoamyl alcohol, GC)
• Grade: for molecular biology
• Impurities: ≤0.001% free alkali (as NH3); DNases, none detected; insoluble matter, passes filter test; phosphatases, none detected; proteases, none detected; RNases, none detected
• Cation Traces: Al: ≤0.5 mg/kg; Ba: ≤0.1 mg/kg; Bi: ≤0.1 mg/kg; Ca: ≤0.5 mg/kg; Cd: ≤0.05 mg/kg; Co: ≤0.02 mg/kg; Cr: ≤0.02 mg/kg; Cu: ≤0.02 mg/kg; Fe: ≤0.1 mg/kg; K: ≤0.5 mg/kg; Li: ≤0.1 mg/kg; Mg: ≤0.1 mg/kg; Mn: ≤0.02 mg/kg; Mo: ≤0.1 mg/kg; Na: ≤0.5 mg/kg; Ni: ≤0.02 mg/kg; Pb: ≤0.1 mg/kg; Sr: ≤0.1 mg/kg; Zn: ≤0.1 mg/kg
• λ: neat
• Product Line: BioUltra

DETAILS

Sigma Aldrich - 25666

Components
mixture of chloroform and isoamyl alcohol in the ratio of 24:1 (v/v)

Sigma Aldrich - 25668

Components
mixture of chloroform and isoamyl alcohol in the ratio of 49:1 (v/v)
Other Notes
Deproteinizing reagent. Used in conjunction with phenol for improving the efficiency of nucleic acid extractions1