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1,3-Dichloropropan-2-Ol
[CAS# 27988-86-9]

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Identification
Name 1,3-Dichloropropan-2-Ol
Synonyms .Alpha.,.Gamma.-Dichlorohydrin; .Alpha.-Dichlorohydrin; 1,3-Dichloro-2-Hydroxypropane
Molecular Formula C3H6Cl2O
Molecular Weight 128.99
CAS Registry Number 27988-86-9
SMILES C(C(CCl)O)Cl
InChI 1S/C3H6Cl2O/c4-1-3(6)2-5/h3,6H,1-2H2
InChIKey DEWLEGDTCGBNGU-UHFFFAOYSA-N
Properties
Density 1.3±0.1g/cm3 (Cal.)
20 (Expl.)
Melting point -4°C (Expl.)
Boiling point 174-176°C (Expl.)
174.299°C at 760 mmHg (Cal.)
Flash point 86°C (Expl.)
85.556°C (Cal.)
Refractive index 1.483 (Expl.)
Safety Data
Safety Code S53;S45  Details
Risk Code R45;R21;R25  Details
Hazard Symbol symbol  T  Details
Transport Information UN2750
Safety Description DANGER: POISON, teratogen, mutagen, GI/liver/kidney damage
DANGER: POISON, cancer risk, irritates skin, eyes, lungs
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
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