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| CAS No.: | 3383-83-3 |
|---|---|
| Name: | 1-BROMO-3,7-DIMETHYLOCTANE |
| Article Data: | 60 |
| Molecular Structure: | |
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| Formula: | C10H21Br |
| Molecular Weight: | 221.181 |
| Synonyms: | (?à)-1-Bromo-3,7-dimethyloctane;1-Bromo-3,7-dimethyloctane;3,7-Dimethyl-1-bromooctane;3,7-Dimethyloctylbromide;Dihydrocitronellyl bromide;Geranyl bromide, perhydro-;Tetrahydrogeranyl bromide; |
| Density: | 1.065 g/cm3 |
| Boiling Point: | 225.7 °C at 760 mmHg |
| Flash Point: | 75.7 °C |
| PSA: | 0.00000 |
| LogP: | 4.23380 |
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Specification
The Octane,1-bromo-3,7-dimethyl-, with the CAS registry number 3383-83-3, is also known as 3,7-Dimethyloctylbromide. It belongs to the product categories of Alkyl; Halogenated Hydrocarbons; Organic Building Blocks. This chemical's molecular formula is C10H21Br and molecular weight is 221.18. What's more, its IUPAC name is 1-bromo-3,7-dimethyloctane. It should be sealed and stored in a cool and dry place.
Physical properties of Octane,1-bromo-3,7-dimethyl- are: (1)ACD/LogP: 5.56; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.56; (4)ACD/BCF (pH 5.5): 9939.23; (5)ACD/KOC (pH 5.5): 25286.84; (6)#Freely Rotating Bonds: 6; (7)Index of Refraction: 1.452; (8)Molar Refractivity: 56.02 cm3; (9)Molar Volume: 207.5 cm3; (10)Polarizability: 22.21×10-24cm3; (11)Surface Tension: 27.8 dyne/cm; (12)Density: 1.065 g/cm3; (13)Flash Point: 75.7 °C; (14)Enthalpy of Vaporization: 44.35 kJ/mol; (15)Boiling Point: 225.7 °C at 760 mmHg ; (16)Vapour Pressure: 0.127 mmHg at 25°C.
Preparation: this chemical can be prepared by 3,7-dimethyl-octan-1-ol at the ambient temperature. This reaction will need reagent N-bromosuccinimide, triphenylphosphine and solvent CH2Cl2 with the reaction time of 12 hours. The yield is about 86%.
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Uses of Octane,1-bromo-3,7-dimethyl-: it can be used to produce 3,7-dimethyl-1-nitrooctane. It will need reagent NaNO2 and solvent dimethylsulfoxide. The yield is about 66%.
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You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(C)CCCC(C)CCBr
(2)InChI: InChI=1S/C10H21Br/c1-9(2)5-4-6-10(3)7-8-11/h9-10H,4-8H2,1-3H3
(3)InChIKey: VGSUDZKDSKCYJP-UHFFFAOYSA-N