Octane,1-bromo-3,7-dimethyl- supplier

Name
1-BROMO-3,7-DIMETHYLOCTANE
EINECS
CAS No. 3383-83-3
Article Data60
CAS DataBase
Density 1.065 g/cm³
Solubility
Melting Point
Formula C₁₀H₂₁Br
Boiling Point 225.7 °C at 760 mmHg
Molecular Weight 221.181
Flash Point 75.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
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;
PSA 0.00000
LogP 4.23380

Octane,1-bromo-3,7-dimethyl- 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%.

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%.

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

Product Name

1-BROMO-3,7-DIMETHYLOCTANE

Octane,1-bromo-3,7-dimethyl- Specification

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