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CAS No.: | 3814-30-0 |
---|---|
Name: | Bromomethylcyclopentane |
Molecular Structure: | |
Formula: | C6H11Br |
Molecular Weight: | 163.057 |
Synonyms: | (Bromomethyl)cyclopentane;Cyclopentylmethyl bromide; |
Density: | 1.326 g/cm3 |
Boiling Point: | 153.954 °C at 760 mmHg |
Flash Point: | 58.813 °C |
Appearance: | colorless or light yellow liquid |
Hazard Symbols: | T |
Risk Codes: | 25 |
Safety: | 45 |
PSA: | 0.00000 |
LogP: | 2.57150 |
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The Bromomethylcyclopentane, with the CAS registry number 3814-30-0, is also known as Cyclopentane, (bromomethyl)-. It belongs to the product categories of Methyl Halides; Methyl Halides; Ring Systems; Cycloalkanes. This chemical's molecular formula is C6H11Br and molecular weight is 163.06. What's more, its IUPAC name is the same with its product name.
Physical properties about Bromomethylcyclopentane are: (1)ACD/LogP: 3.175; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.18; (4)ACD/LogD (pH 7.4): 3.18; (5)ACD/BCF (pH 5.5): 152.33; (6)ACD/BCF (pH 7.4): 152.33; (7)ACD/KOC (pH 5.5): 1270.72; (8)ACD/KOC (pH 7.4): 1270.72; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.489; (14)Molar Refractivity: 35.484 cm3; (15)Molar Volume: 122.963 cm3; (16)Polarizability: 14.067×10-24cm3; (17)Surface Tension: 33.889 dyne/cm; (18)Density: 1.326 g/cm3; (19)Flash Point: 58.813 °C; (20)Enthalpy of Vaporization: 37.464 kJ/mol; (21)Boiling Point: 153.954 °C at 760 mmHg; (22)Vapour Pressure: 4.174 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: BrCC1CCCC1
(2) InChI: InChI=1S/C6H11Br/c7-5-6-3-1-2-4-6/h6H,1-5H2
(3) InChIKey: XYZUWOHEILWUID-UHFFFAOYSA-N