Chlorobenzene-D5 supplier | CasNO.3114-55-4

Name
CHLOROBENZENE-D5
EINECS 221-482-0
CAS No. 3114-55-4
Article Data4
CAS DataBase
Density 1.159 g/cm³
Solubility Not miscible with water.
Melting Point -46oC
Formula C₆ClD₅
Boiling Point 131.7 °C at 760 mmHg
Molecular Weight 117.519
Flash Point 23.9 °C
Transport Information UN 1134 3
Appearance clear colorless liquid
Safety 24/25-61
Risk Codes 10-20-51/53
Molecular Structure
Hazard Symbols Xn,N
Synonyms Benzene-d5,chloro- (7CI,8CI,9CI);Chlorobenzene-d5;Chloropentadeuterobenzene;Perdeuteriochlorobenzene;
PSA 0.00000
LogP 2.34000

Chlorobenzene-D5 Specification

The Chlorobenzene-D5 with the CAS number 3114-55-4 is also called Benzene-1,2,3,4,5-d5,6-chloro-. The IUPAC name is 1-chloro-2,3,4,5,6-pentadeuteriobenzene. Its EINECS registry number is 221-482-0. The molecular formula is C₆ClD₅. This chemical belongs to the following product categories: (1)Alpha Sort; (2)C; (3)CAlphabetic; (4)CH; (5)Volatiles/ Semivolatiles. This chemical should be stored at 2-8°C.

The properties of the chemical are: (1)ACD/LogP: 2.81; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.81; (4)ACD/LogD (pH 7.4): 2.81; (5)ACD/BCF (pH 5.5): 80.94; (6)ACD/BCF (pH 7.4): 80.94; (7)ACD/KOC (pH 5.5): 808.1; (8)ACD/KOC (pH 7.4): 808.1; (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: 1.526; (14)Molar Refractivity: 31.14 cm³; (15)Molar Volume: 101.3 cm³; (16)Polarizability: 12.34×10^-24cm³; (17)Surface Tension: 33 dyne/cm; (18)Enthalpy of Vaporization: 35.19 kJ/mol; (19)Vapour Pressure: 11.2 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: [2H]c1c([2H])c([2H])c([2H])c(Cl)c1[2H]
(2)InChI: InChI=1/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H/i1D,2D,3D,4D,5D
(3)InChIKey: MVPPADPHJFYWMZ-RALIUCGRED

Product Name

CHLOROBENZENE-D5

Chlorobenzene-D5 Specification

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