4-Bromodiphenyl sulfide supplier

Name
4-BROMO DIPHENYL SULFIDE
EINECS
CAS No. 65662-88-6
Article Data103
CAS DataBase
Density 1.49 g/cm³
Solubility
Melting Point
Formula C₁₂H₉BrS
Boiling Point 355.6 °C at 760 mmHg
Molecular Weight 265.173
Flash Point 168.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Sulfide,p-bromophenyl phenyl (7CI);4-Bromodiphenyl sulfide;4-Bromophenyl phenylsulfide;p-Bromophenyl phenyl sulfide;
PSA 25.30000
LogP 4.60030

4-Bromodiphenyl sulfide Specification

The CAS register number of Benzene,1-bromo-4-(phenylthio)- is 65662-88-6. It also can be called as 4-Bromophenyl phenylsulfide and the systematic name about this chemical is 1-bromo-4-(phenylsulfanyl)benzene. The molecular formula about this chemical is C₁₂H₉BrS and the molecular weight is 265.17.

Physical properties about Benzene,1-bromo-4-(phenylthio)- are: (1)ACD/LogP: 5.46; (2)# of Rule of 5 Violations: 1; (3)#Freely Rotating Bonds: 2; (4)Polar Surface Area: 25.3 Å²; (5)Index of Refraction: 1.681; (6)Molar Refractivity: 67.19 cm³; (7)Molar Volume: 177.5 cm³; (8)Polarizability: 26.63x10^-24cm³; (9)Surface Tension: 53.7 dyne/cm; (10)Density: 1.49 g/cm³; (11)Flash Point: 168.8 °C; (12)Enthalpy of Vaporization: 57.7 kJ/mol; (13)Boiling Point: 355.6 °C at 760 mmHg; (14)Vapour Pressure: 6.35E-05 mmHg at 25 °C.

Preparation: this chemical can be prepared by 2-amino-benzoic acid and Ethyl-p-bromphenylsulfid with ethene. This reaction will need reagent of isoamyl nitrite and solvent of 1,2-dichloro-ethane, dioxane. The reaction time is 45 min. This reaction needs heating. The yield is about 96%.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc2ccc(Sc1ccccc1)cc2
(2)InChI: InChI=1/C12H9BrS/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h1-9H
(3)InChIKey: GLXVKUVWFRUQHW-UHFFFAOYAW
(4)Std. InChI: InChI=1S/C12H9BrS/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h1-9H
(5)Std. InChIKey: GLXVKUVWFRUQHW-UHFFFAOYSA-N

Product Name

4-BROMO DIPHENYL SULFIDE

4-Bromodiphenyl sulfide Specification

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