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| CAS No.: | 19198-88-0 |
|---|---|
| Name: | 1-BROMO-4-METHYL-3-HEXENE |
| Molecular Structure: | |
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| Formula: | C7H13Br |
| Molecular Weight: | 177.084 |
| Synonyms: | 4-Methyl-3-hexenyl bromide;1-Bromo-4-methyl-3-hexene; |
| Density: | 1.175 g/cm3 |
| Boiling Point: | 175.6 °C at 760 mmHg |
| Flash Point: | 53.584 °C |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 10-36/37/38 |
| Safety: | 26-36 |
| PSA: | 0.00000 |
| LogP: | 3.12770 |
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Specification
The 3-Hexene,1-bromo-4-methyl-, with the CAS registry number 19198-88-0, is also known as 4-Methyl-3-hexenyl bromide. This chemical's molecular formula is C7H13Br and molecular weight is 177.08. What's more, its systematic name is 1-Bromo-4-methyl-hex-3-ene. It should be preserved hermetically and put in a dry place; avoid light.
Physical properties about 3-Hexene,1-bromo-4-methyl-:(1)ACD/LogP: 3.74; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.739; (4)ACD/LogD (pH 7.4): 3.739; (5)ACD/BCF (pH 5.5): 408.94; (6)ACD/BCF (pH 7.4): 408.94; (7)ACD/KOC (pH 5.5): 2576.5; (8)ACD/KOC (pH 7.4): 2576.5; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.471; (14)Molar Refractivity: 42.111 cm3; (15)Molar Volume: 150.68 cm3; (16)Surface Tension: 27.86 dyne/cm; (17)Density: 1.175 g/cm3; (18)Flash Point: 53.584 °C; (19)Enthalpy of Vaporization: 39.502 kJ/mol; (20)Boiling Point: 175.6 °C at 760 mmHg; (21)Vapour Pressure: 1.529 mmHg at 25 °C.
When you are dealing with this chemical, you should be very careful. This chemical is inflammation to the skin eyes and respiratory system or other mucous membranes. What’s more, it’s flammable. Therefore, you should wear suitable protective clothing. And in case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1) SMILES: CCC(=CCCBr)C
(2) InChI: InChI=1/C7H13Br/c1-3-7(2)5-4-6-8/h5H,3-4,6H2,1-2H3
(3) InChIKey: VNXHKKCMHWXNJW-UHFFFAOYAN