-
Name
1,14-Dibromotetradecane
- EINECS 253-628-4
- CAS No. 37688-96-3
- Article Data15
- CAS DataBase
- Density 1.245 g/cm3
- Solubility
- Melting Point 50.4°C
- Formula C14H28Br2
- Boiling Point 366.3 °C at 760 mmHg
- Molecular Weight 356.184
- Flash Point 204.8 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols Xi
- Synonyms 1,14-Dibromotetradecane;Tetradecamethylene dibromide;tetradecane, 1,14-dibromo-;
- PSA 0.00000
- LogP 6.45740
1,14-Dibromotetradecane Specification
The 1,14-Dibromotetradecane, with the CAS registry number 37688-96-3 and EINECS registry number 253-628-4, is also called tetradecane, 1,14-dibromo-. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C14H28Br2.
The characteristics of 1,14-Dibromotetradecane are as followings: (1)ACD/LogP: 7.92; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7.92; (4)ACD/LogD (pH 7.4): 7.92; (5)ACD/BCF (pH 5.5): 612091.88; (6)ACD/BCF (pH 7.4): 612091.88; (7)ACD/KOC (pH 5.5): 482807.5; (8)ACD/KOC (pH 7.4): 482807.5; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 13; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.487; (14)Molar Refractivity: 82.37 cm3; (15)Molar Volume: 285.9 cm3; (16)Polarizability: 32.65×10-24cm3; (17)Surface Tension: 34.5 dyne/cm; (18)Density: 1.245 g/cm3; (19)Flash Point: 204.8 °C; (20)Enthalpy of Vaporization: 58.86 kJ/mol; (21)Boiling Point: 366.3 °C at 760 mmHg; (22)Vapour Pressure: 3.11E-05 mmHg at 25°C.
Uses of 1,14-Dibromotetradecane: It can react with hexane-1,6-diyl-bis-magnesium bromide to produce 1,14-dibromo-tetradecane. This reaction will need reagent Li2CuCl4, and the menstruum tetrahydrofuran. The reaction temperature is -10~20°C, and the yield is about 63%.
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Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: BrCCCCCCCCCCCCCCBr
(2)InChI: InChI=1/C14H28Br2/c15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16/h1-14H2
(3)InChIKey: SDENLXLNLFKRAR-UHFFFAOYAN
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