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Chlorobenzene-3,5-D2

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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 Molecular Structure of 59164-10-2 (Chlorobenzene-3,5-D2) Hazard Symbols N/A
Synonyms

benzene-1,3-d2, 5-chloro-;

Article Data 2

Chlorobenzene-3,5-D2 Specification

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

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