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| CAS No.: | 13474-70-9 |
|---|---|
| Name: | Bicyclo[2.2.1]heptane, 1-bromo- (9CI) |
| Article Data: | 4 |
| Molecular Structure: | |
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| Formula: | C7H11Br |
| Molecular Weight: | 175.068 |
| Synonyms: | Norbornane,1-bromo- (7CI,8CI);1-Bromobicyclo[2.2.1]heptane;1-Bromonorbornane; |
| EINECS: | 13474-70-9 |
| Density: | 1.531 g/cm3 |
| Boiling Point: | 174.6 °C at 760 mmHg |
| Flash Point: | 59.8 °C |
| PSA: | 0.00000 |
| LogP: | 2.71400 |
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Specification
The Bicyclo[2.2.1]heptane,1-bromo-, with the CAS registry number 13474-70-9, is also known as 1-Bromobicyclo[2.2.1]heptane. It belongs to the product category of Cyclopentane. This chemical's molecular formula is C7H11Br and molecular weight is 175.0662. What's more, its IUPAC name is 4-Bromobicyclo[2.2.1]heptane.
Physical properties about Bicyclo[2.2.1]heptane,1-bromo- are: (1)ACD/LogP: 3.05; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.05; (4)ACD/LogD (pH 7.4): 3.05; (5)ACD/BCF (pH 5.5): 122.14; (6)ACD/BCF (pH 7.4): 122.14; (7)ACD/KOC (pH 5.5): 1084.87; (8)ACD/KOC (pH 7.4): 1084.87; (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: 1.579; (14)Molar Refractivity: 38.02 cm3; (15)Molar Volume: 114.3 cm3; (16)Polarizability: 15.07×10-24 cm3; (17)Surface Tension: 46.3 dyne/cm; (18)Density: 1.531 g/cm3; (19)Flash Point: 59.8 °C; (20)Enthalpy of Vaporization: 39.4 kJ/mol; (21)Boiling Point: 174.6 °C at 760 mmHg; (22)Vapour Pressure: 1.61 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: BrC12CCC(CC1)C2
(2) InChI: InChI=1/C7H11Br/c8-7-3-1-6(5-7)2-4-7/h6H,1-5H2
(3) InChIKey: IBGQMFDJANKDLZ-UHFFFAOYAX