Cyclohexene, 4-bromo- supplier

Name
4-BROMO-1-CYCLOHEXENE
EINECS
CAS No. 3540-84-9
Article Data7
CAS DataBase
Density 1.411 g/cm³
Solubility
Melting Point
Formula C₆H₉Br
Boiling Point 164.1 °C at 760 mmHg
Molecular Weight 161.041
Flash Point 52.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-Cyclohexenylbromide;4-Bromocyclohex-1-ene;4-Bromocyclohexene;
PSA 0.00000
LogP 2.49000

Cyclohexene, 4-bromo- Specification

The Cyclohexene, 4-bromo-, with the CAS registry number 3540-84-9, is also known as 4-Bromocyclohex-1-ene. This chemical's molecular formula is C₆H₉Br and molecular weight is 161.04. What's more, its systematic name is 4-bromocyclohexene.

Physical properties of Cyclohexene, 4-bromo- are: (1)ACD/LogP: 2.84; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.84; (4)ACD/BCF (pH 5.5): 84.52; (5)ACD/KOC (pH 5.5): 833.55; (6)Index of Refraction: 1.526; (7)Molar Refractivity: 35.06 cm³; (8)Molar Volume: 114.1 cm³; (9)Surface Tension: 35.7 dyne/cm; (10)Density: 1.411 g/cm³; (11)Flash Point: 52.3 °C; (12)Enthalpy of Vaporization: 38.41 kJ/mol; (13)Boiling Point: 164.1 °C at 760 mmHg; (14)Vapour Pressure: 2.62 mmHg at 25°C.

Preparation: this chemical can be prepared by cyclohexane-1,4-diol by heating. This reaction will need reagent PBr₃, 20% KOH and solvent benzene with the reaction time of 12 hours. The yield is about 31%.

Uses of Cyclohexene, 4-bromo-: it can be used to produce 4-allylsulfanyl-cyclohexene at the temperature of 60 °C. It will need reagent Cs₂CO₃ and solvent dimethylformamide with the reaction time of 1 hour. The yield is about 54%.

You can still convert the following datas into molecular structure:
(1)SMILES: BrC1C/C=C\CC1
(2)InChI: InChI=1S/C6H9Br/c7-6-4-2-1-3-5-6/h1-2,6H,3-5H2
(3)InChIKey: IDYIRPALXVSDCK-UHFFFAOYSA-N

Product Name

4-BROMO-1-CYCLOHEXENE

Cyclohexene, 4-bromo- Specification

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