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CAS No.: | 55956-02-0 |
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Name: | 2-CHLOROPROPANE-D7 |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C3ClD7 |
Molecular Weight: | 85.486 |
Synonyms: | 1,1,1,2,3,3,3-Heptadeutero-2-chloropropane;2-chloro(2H7)propane;propane-1,1,1,2,3,3,3-d7, 2-chloro-; |
Density: | 0.952 g/cm3 |
Flash Point: | 37.3 °C at 760 mmHg |
PSA: | 0.00000 |
LogP: | 1.63360 |
The Propane-1,1,1,2,3,3,3-d7,2-chloro- (9CI), with the CAS registry number 55956-02-0, has the systematic name of 2-chloro(2H7)propane. It is also called 2-Chloropropane-d7. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C3ClD7.
The characteristics of Propane-1,1,1,2,3,3,3-d7,2-chloro- (9CI) are as followings: (1)ACD/LogP: 1.85; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.85; (4)ACD/LogD (pH 7.4): 1.85; (5)ACD/BCF (pH 5.5): 14.94; (6)ACD/BCF (pH 7.4): 14.94; (7)ACD/KOC (pH 5.5): 241.14; (8)ACD/KOC (pH 7.4): 241.14; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: Å2; (13)Index of Refraction: 1.378; (14)Molar Refractivity: 20.75 cm3; (15)Molar Volume: 89.8 cm3; (16)Polarizability: 8.22×10-24cm3; (17)Surface Tension: 18.9 dyne/cm; (18)Density: 0.952 g/cm3; (19)Enthalpy of Vaporization: 27.04 kJ/mol; (20)Boiling Point: 37.3 °C at 760 mmHg; (21)Vapour Pressure: 489 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: [2H]C([2H])([2H])C(Cl)([2H])C([2H])([2H])[2H]
(2)InChI: InChI=1/C3H7Cl/c1-3(2)4/h3H,1-2H3/i1D3,2D3,3D
(3)InChIKey: ULYZAYCEDJDHCC-YYWVXINBEX