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Name |
Chlorobenzene-3,5-D2 |
EINECS | N/A |
CAS No. | 59164-10-2 | Density | 1.13 g/cm3 |
PSA | 0.00000 | LogP | 2.34000 |
Solubility | N/A | Melting Point |
N/A |
Formula | C6H3ClD2 | Boiling Point | 131.719 °C at 760 mmHg |
Molecular Weight | 114.543 | Flash Point | 23.889 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
benzene-1,3-d2, 5-chloro-; |
Article Data | 2 |
The Chlorobenzene-3,5-D2 with the CAS number 59164-10-2 is also called benzene-1,3-d2, 5-chloro-. The systematic name is Chloro(3,5-2H2)benzene. Its molecular formula is C6H3ClD2. This chemical is a kind of organics. It should be stored in dry and cool environment.
The properties of the chemical are: (1)ACD/LogP: 2.84; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.843; (4)ACD/LogD (pH 7.4): 2.843; (5)ACD/BCF (pH 5.5): 85.291; (6)ACD/BCF (pH 7.4): 85.291; (7)ACD/KOC (pH 5.5): 838.978; (8)ACD/KOC (pH 7.4): 838.978; (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: 1.527; (14)Molar Refractivity: 31.148 cm3; (15)Molar Volume: 101.384 cm3; (16)Polarizability: 12.348×10-24cm3; (17)Surface Tension: 33.081 dyne/cm; (18)Enthalpy of Vaporization: 35.19 kJ/mol; (19)Vapour Pressure: 11.234 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: [2H]c1cc(cc(c1)Cl)[2H]
(2)InChI: InChI=1/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H/i2D,3D
(3)InChIKey: MVPPADPHJFYWMZ-PBNXXWCMEX