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53883-86-6

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Basic Information
CAS No.: 53883-86-6
Name: Propane,1,3-dichloro-2-(chloromethoxy)-
Article Data: 6
Molecular Structure:
Molecular Structure of 53883-86-6 (Propane,1,3-dichloro-2-(chloromethoxy)-)
Formula: C4H7Cl3O
Molecular Weight: 177.458
Synonyms: Ether,2-chloro-1-(chloromethyl)ethyl chloromethyl (7CI);Ether, chloromethyl b,b'-dichloroisopropyl(2CI);1,3-Dichloro-2-propyl chloromethyl ether;
Density: 1.31 g/cm3
Boiling Point: 221.9 °C at 760 mmHg
Flash Point: 89.8 °C
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Specification

The CAS registry number of Propane,1,3-dichloro-2-(chloromethoxy)- is 53883-86-6. This chemical is also named as Chloromethyl 1,3-dichloropropan-2-yl ether. In addition, its molecular formula is C4H7Cl3O and molecular weight is 177.4568. Its systematic name is called 1,3-dichloro-2-(chloromethoxy)propane.

Physical properties about Propane,1,3-dichloro-2-(chloromethoxy)- are: (1)ACD/LogP: 1.51; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.51; (4)ACD/LogD (pH 7.4): 1.51; (5)ACD/BCF (pH 5.5): 8.26; (6)ACD/BCF (pH 7.4): 8.26; (7)ACD/KOC (pH 5.5): 157.71; (8)ACD/KOC (pH 7.4): 157.71; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Index of Refraction: 1.456; (13)Molar Refractivity: 36.83 cm3; (14)Molar Volume: 135.4 cm3; (15)Surface Tension: 32.5 dyne/cm; (16)Density: 1.31 g/cm3; (17)Flash Point: 89.8 °C; (18)Enthalpy of Vaporization: 43.97 kJ/mol; (19)Boiling Point: 221.9 °C at 760 mmHg; (20)Vapour Pressure: 0.155 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: ClCC(OCCl)CCl
(2)InChI: InChI=1/C4H7Cl3O/c5-1-4(2-6)8-3-7/h4H,1-3H2; (3)InChIKey: PGDSPXTUIGPRJZ-UHFFFAOYAU