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137832-55-4

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Basic Information
CAS No.: 137832-55-4
Name: 2-CHLOROPROPANE-1,1,1-D3
Molecular Structure:
Molecular Structure of 137832-55-4 (2-CHLOROPROPANE-1,1,1-D3)
Formula: C3H4ClD3
Molecular Weight: 81.56
Synonyms: 2-Chloropropane-1,1,1-D3;propane-1,1,1-d3, 2-chloro-;
Density: 0.908 g/cm3
Boiling Point: 37.254 °C at 760 mmHg
PSA: 0.00000
LogP: 1.63360
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Specification

The CAS register number of 2-Chloropropane-1,1,1-D3 is 137832-55-4. It also can be called as propane-1,1,1-d3, 2-chloro- and the systematic name about this chemical is 2-Chloro(1,1,1-2H3)propane. The molecular formula about this chemical is C3H4ClD3 and the molecular weight is 81.56.

Physical properties about 2-Chloropropane-1,1,1-D3 are: (1)ACD/LogP: 1.98; (2)ACD/LogD (pH 5.5): 1.976; (3)ACD/LogD (pH 7.4): 1.976; (4)ACD/BCF (pH 5.5): 18.7; (5)ACD/BCF (pH 7.4): 18.7; (6)ACD/KOC (pH 5.5): 283.141; (7)ACD/KOC (pH 7.4): 283.141; (8)Index of Refraction: 1.379; (9)Molar Refractivity: 20.755 cm3; (10)Molar Volume: 89.817 cm3; (11)Polarizability: 8.228x10-24cm3; (12)Surface Tension: 18.925 dyne/cm; (13)Enthalpy of Vaporization: 27.037 kJ/mol; (14)Boiling Point: 37.254 °C at 760 mmHg; (15)Vapour Pressure: 488.791 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: [2H]C([2H])([2H])C(C)Cl
(2)InChI: InChI=1/C3H7Cl/c1-3(2)4/h3H,1-2H3/i1D3
(3)InChIKey: ULYZAYCEDJDHCC-FIBGUPNXEY
(4)Std. InChI: InChI=1S/C3H7Cl/c1-3(2)4/h3H,1-2H3/i1D3
(5)Std. InChIKey: ULYZAYCEDJDHCC-FIBGUPNXSA-N