Basic information
- Name:
2-Butene,1-bromo-3-methyl-
- Superlist Name:
- 1-Bromo-3-Methyl-2-butene
- CAS No.:
870-63-3
- Molecular Structure:
- Formula:
- C5H9Br
- Molecular Weight:
- 149.03
- Synonyms:
- 1-Bromo-3-methyl-2-butene;3,3-Dimethallyl bromide;3-Methyl-2-buten-1-yl bromide;3-Methyl-1-bromo-2-butene;4-Bromo-2-methyl-2-butene;3-Methyl-2-butenyl bromide;3-Methylcrotylbromide;g,g-Dimethylallyl bromide;Dimethylallyl bromide;Isoprenehydrobromide;Isoprenyl bromide;Prenyl bromide;
- EINECS:
- 212-799-5
- Density:
- 1.27 g/cm3
- Boiling Point:
- 82-83 °C (150 mmHg)
- Flash Point:
- 32 °C
- Solubility:
- Soluble in ethanol, benzene, chloroform, ether, acetone, insoluble in water
- Appearance:
- Light brown liquid with strong pungent odor
- Hazard Symbols:
C,
F- Risk Codes:
- 10-34-20/21/22-11
- Safety Description:
- 26-36/37/39-45-16 Details
- Transport Information:
- UN 2920 8/PG 2
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Specification
The 1-Bromo-3-Methyl-2-butene with CAS registry number of 870-63-3 is also known as 2-Butene, 1-bromo-3-methyl. The IUPAC name is 1-Bromo-3-methylbut-2-ene. Its EINECS registry number is 212-799-5. In addition, the formula is C5H9Br and the molecular weight is 149.03. This chemical is a light brown liquid with strong pungent odor and should be sealed in cool, dark place with argon.
Physical properties about 1-Bromo-3-Methyl-2-butene are: (1)ACD/LogP: 2.86; (2)ACD/LogD (pH 5.5): 2.86; (3)ACD/LogD (pH 7.4): 2.86; (4)ACD/BCF (pH 5.5): 88.49; (5)ACD/BCF (pH 7.4): 88.49; (6)ACD/KOC (pH 5.5): 861.39; (7)ACD/KOC (pH 7.4): 861.39; (8)#Freely Rotating Bonds: 1; (9)Index of Refraction: 1.47; (10)Molar Refractivity: 32.84 cm3; (11)Molar Volume: 117.6 cm3; (12)Surface Tension: 26.3 dyne/cm; (13)Density: 1.266 g/cm3; (14)Flash Point: 32.8 °C; (15)Enthalpy of Vaporization: 35.49 kJ/mol; (16)Boiling Point: 132.6 °C at 760 mmHg; (17)Vapour Pressure: 10.8 mmHg at 25 °C.
Preparation of 1-Bromo-3-Methyl-2-butene: it is prepared by reaction of 2-methyl-buta-1,3-diene. The reaction needs reagent HBr and solvent acetic acid at the temperature of 4 °C for 2 days. The yield is about 64%.
Uses of 1-Bromo-3-Methyl-2-butene: it is used to produce 1,3-diprenyloxy-4,6-diacetylbenzol by reaction with 4,6-diacetyl-resorcinol. The reaction occurs with reagent K2CO3 and solvent acetone with other condition of heating for 3 hours. The yield is about 99%.
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When you are using this chemical, please be cautious about it. As a chemical, it is highly flammable and can cause burns. Besides, it is harmful by inhalation, in contact with skin and if swallowed. During using it, wear suitable protective clothing, gloves and eye/face protection. keep away from sources of ignition. If contact with eyes accidently, rinse immediately with plenty of water and seek medical advice. In case of accident or if you feel unwell seek medical advice immediately.
You can still convert the following datas into molecular structure:
1. Canonical SMILES: CC(=CCBr)C
2. InChI: InChI=1S/C5H9Br/c1-5(2)3-4-6/h3H,4H2,1-2H3
3. InChIKey: LOYZVRIHVZEDMW-UHFFFAOYSA-N
