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| CAS No.: | 6138-90-5 |
|---|---|
| Name: | GERANYL BROMIDE |
| Article Data: | 143 |
| Molecular Structure: | |
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| Formula: | C10H17Br |
| Molecular Weight: | 217.149 |
| Synonyms: | 2,6-Octadiene,1-bromo-3,7-dimethyl-, (E)- (8CI);(2E)-1-Bromo-3,7-dimethylocta-2,6-diene;(2E)-Geranyl bromide;(E)-1-Bromo-3,7-dimethyl-2,6-octadiene;Geranyl bromide;trans-Geranyl bromide; |
| EINECS: | 228-123-7 |
| Density: | 1.121 g/cm3 |
| Boiling Point: | 227.7 °C at 760 mmHg |
| Flash Point: | 95 °C |
| Solubility: | Immiscible with water. |
| Appearance: | grey yellow liquid |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| PSA: | 0.00000 |
| LogP: | 4.07400 |
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Specification
This chemical is called 2,6-Octadiene, 1-bromo-3,7-dimethyl-, (2E)-, and its CAS registry number is 6138-90-5. With the molecular formula of C10H17Br, its molecular weight is 217.15. In addition, this chemical should be sealed in the cool and dry place, with the teperature 2-8 °C.
Other characteristics of the 2,6-Octadiene, 1-bromo-3,7-dimethyl-, (2E)- can be summarised as followings: (1)ACD/LogP: 4.90; (2)# of Rule of 5 Violations: 0 ; (3)#H bond acceptors: 0; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 4; (6)Index of Refraction: 1.489; (7)Molar Refractivity: 55.91 cm3; (8)Molar Volume: 193.6 cm3; (9)Polarizability: 22.16×10-24cm3; (10)Surface Tension: 28.9 dyne/cm; (11)Density: 1.121 g/cm3; (12)Flash Point: 95 °C; (13)Enthalpy of Vaporization: 44.54 kJ/mol; (14)Boiling Point: 227.7 °C at 760 mmHg; (15)Vapour Pressure: 0.115 mmHg at 25°C.
Uses of this chemical: The 2,6-Octadiene, 1-bromo-3,7-dimethyl-, (2E)- could react with benzenesulfinic acid; sodium salt, and obtain the geranyl phenyl sulfone. This reaction needs the solvent of dimethylformamide. The yield is 80 %. In addition, this reaction should be taken at the temperature of 20 °C.
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When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
1.SMILES: BrC/C=C(/CC/C=C(/C)C)C
2.InChI: InChI=1/C10H17Br/c1-9(2)5-4-6-10(3)7-8-11/h5,7H,4,6,8H2,1-3H3/b10-7+
3.InChIKey: JSCUZAYKVZXKQE-JXMROGBWBZ