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CAS No.: | 19199-91-8 |
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Name: | CHLOROETHANE-D5 |
Article Data: | 4 |
Molecular Structure: | |
Formula: | C2ClD5 |
Molecular Weight: | 69.475 |
Synonyms: | Ethane-d5, chloro-;Pentadeuterioethyl chloride; |
Density: | 0.953 g/cm3 |
Boiling Point: | 12.733 °C at 760 mmHg |
Hazard Symbols: | F+,Xn |
Risk Codes: | 12-40-52/53 |
Safety: | 9-16-33-36/37-61 |
PSA: | 0.00000 |
LogP: | 1.24510 |
The Chloroethane-d5, with the CAS registry number 19199-91-8, is also known as Ethane-d5, chloro-. This chemical's molecular formula is C2ClD5 and molecular weight is 69.54. What's more, its systematic name is Chloro(2H5)ethane.
Physical properties about Chloroethane-d5 are: (1)ACD/LogP: 1.62; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.623; (4)ACD/LogD (pH 7.4): 1.623; (5)ACD/BCF (pH 5.5): 10.072; (6)ACD/BCF (pH 7.4): 10.072; (7)ACD/KOC (pH 5.5): 181.821; (8)ACD/KOC (pH 7.4): 181.821; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.362; (14)Molar Refractivity: 16.164 cm3; (15)Molar Volume: 72.934 cm3; (16)Polarizability: 6.408×10-24 cm3; (17)Surface Tension: 17.971 dyne/cm; (18)Density: 0.953 g/cm3; (19)Enthalpy of Vaporization: 24.966 kJ/mol; (20)Boiling Point: 12.733 °C at 760 mmHg; (21)Vapour Pressure: 1169.93 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: [2H]C([2H])([2H])C([2H])([2H])Cl
(2) InChI: InChI=1/C2H5Cl/c1-2-3/h2H2,1H3/i1D3,2D2
(3) InChIKey: HRYZWHHZPQKTII-ZBJDZAJPEK