4,4'-Dichlorobenzil supplier

Name
4,4'-Dichlorobenzil
EINECS 222-387-7
CAS No. 3457-46-3
Article Data159
CAS DataBase
Density 1.366 g/cm³
Solubility
Melting Point 194-197°C
Formula C₁₄H₈Cl₂O₂
Boiling Point 427.3 °C at 760 mmHg
Molecular Weight 279.122
Flash Point 180.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xn
Synonyms Benzil,4,4'-dichloro- (6CI,7CI,8CI);Ethanedione, bis(4-chlorophenyl)- (9CI);1,2-Bis(4-chlorophenyl)-1,2-ethanedione;1,2-Bis(4-chlorophenyl)ethane-1,2-dione;4,4'-Dichlorobenzil;4,4'-Dichlorodibenzoyl;Bis(4-chlorophenyl)ethanedione;Bis(p-chlorophenyl)ethanedione;NSC 274;p,p'-Dichlorobenzil;
PSA 34.14000
LogP 4.05900

4,4'-Dichlorobenzil Specification

The 4,4'-Dichlorobenzil, with CAS registry number 3457-46-3, has the systematic name of 1,2-bis(4-chlorophenyl)ethane-1,2-dione. And its IUPAC name is the same one. This chemical is a kind of white crystal. The chemical formula of this chemical is C₁₄H₈Cl₂O₂. What's more, its EINECS is 222-387-7.

Physical properties of 4,4'-Dichlorobenzil: (1)ACD/LogP: 4.91; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.91; (4)ACD/LogD (pH 7.4): 4.91; (5)ACD/BCF (pH 5.5): 3163.31; (6)ACD/BCF (pH 7.4): 3163.31; (7)ACD/KOC (pH 5.5): 11142.86; (8)ACD/KOC (pH 7.4): 11142.86; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 34.14 Å²; (13)Index of Refraction: 1.612; (14)Molar Refractivity: 71.03 cm³; (15)Molar Volume: 204.2 cm³; (16)Polarizability: 28.16×10^-24cm³; (17)Surface Tension: 50.6 dyne/cm; (18)Enthalpy of Vaporization: 68.23 kJ/mol; (19)Vapour Pressure: 1.65E-07 mmHg at 25°C.

Preparation: this chemical can be prepared by bis-(4-chloro-phenyl)-ethyne. This reaction will need reagent DMSO. The reaction time is 6 hour(s) with reaction temperature of 140 ℃. The yield is about 86%.

Uses of 4,4'-Dichlorobenzil: it can be used to produce 4,4'-dichloro-benzilic acid. This reaction will need reagent aq.-ethanolic KOH.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1ccc(Cl)cc1)C(=O)c2ccc(Cl)cc2
(2)InChI: InChI=1/C14H8Cl2O2/c15-11-5-1-9(2-6-11)13(17)14(18)10-3-7-12(16)8-4-10/h1-8H
(3)InChIKey: XMAWUPHYEABFDR-UHFFFAOYAM
(4)Std. InChI: InChI=1S/C14H8Cl2O2/c15-11-5-1-9(2-6-11)13(17)14(18)10-3-7-12(16)8-4-10/h1-8H
(5)Std. InChIKey: XMAWUPHYEABFDR-UHFFFAOYSA-N

Product Name

4,4'-Dichlorobenzil

4,4'-Dichlorobenzil Specification

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