4-Bromomethyl-1,1-difluoro-cyclohexane supplier

Name
4-Bromomethyl-1,1-difluoro-cyclohexane
EINECS
CAS No. 858121-94-5
Article Data4
CAS DataBase
Density 1.414 g/cm³
Solubility
Melting Point
Formula C₇H₁₁BrF₂
Boiling Point 194.974 °C at 760 mmHg
Molecular Weight 213.065
Flash Point 71.718 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-(Bromomethyl)-1,1-difluoro-cyclohexane;
PSA 0.00000
LogP 3.20680

4-Bromomethyl-1,1-difluoro-cyclohexane Specification

The 4-Bromomethyl-1,1-difluoro-cyclohexane has the CAS registry number 858121-94-5. This chemical's molecular formula is C₇H₁₁BrF₂ and molecular weight is 213.06. What's more, its systematic name is 4-(bromomethyl)-1,1-difluoro-cyclohexane.

Physical properties of 4-Bromomethyl-1,1-difluoro-cyclohexane are: (1)ACD/LogP: 2.46; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.463; (4)ACD/LogD (pH 7.4): 2.463; (5)ACD/BCF (pH 5.5): 43.853; (6)ACD/BCF (pH 7.4): 43.853; (7)ACD/KOC (pH 5.5): 521.147; (8)ACD/KOC (pH 7.4): 521.147; (9)#Freely Rotating Bonds: 1; (10)Index of Refraction: 1.448; (11)Molar Refractivity: 40.361 cm³; (12)Molar Volume: 150.718 cm³; (13)Polarizability: 16×10^-24cm³; (14)Surface Tension: 27.821 dyne/cm; (15)Density: 1.414 g/cm³; (16)Flash Point: 71.718 °C; (17)Enthalpy of Vaporization: 41.353 kJ/mol; (18)Boiling Point: 194.974 °C at 760 mmHg; (19)Vapour Pressure: 0.601 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: C1CC(CCC1CBr)(F)F
(2)InChI: InChI=1S/C7H11BrF2/c8-5-6-1-3-7(9,10)4-2-6/h6H,1-5H2
(3)InChIKey: VVBAHFKQTKRMAS-UHFFFAOYSA-N

Product Name

4-Bromomethyl-1,1-difluoro-cyclohexane

4-Bromomethyl-1,1-difluoro-cyclohexane Specification

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