1,2-Dichloroisobutane
[CAS# 26761-81-9]

Identification

• Name: 1,2-Dichloroisobutane
• Synonyms: 4-01-00-00250 (Beilstein Handbook Reference); Brn 1731178; Butane, 1,1-Dichloro-
• Molecular Formula: C₄H₈Cl₂
• Molecular Weight: 127.01
• CAS Registry Number: 26761-81-9
• SMILES: C(C(Cl)Cl)CC
• InChI: 1S/C4H8Cl2/c1-2-3-4(5)6/h4H,2-3H2,1H3
• InChIKey: SEQRDAAUNCRFIT-UHFFFAOYSA-N

Properties

• Density: 1.1±0.1g/cm³ (Cal.)
• Boiling point: 114.3±8.0°C at 760 mmHg (Cal.)
• Flash point: 22.5±14.6°C (Cal.)

References

• (1): Igor V. Tetko, Vsevolod Yu. Tanchuk, Tamara N. Kasheva, and Alessandro E. P. Villa. Estimation of Aqueous Solubility of Chemical Compounds Using E-State Indices, J. Chem. Inf. Comput. Sci., 2001, 41 (6), pp 1488–1493