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| CAS No.: | 29576-14-5 |
|---|---|
| Name: | CROTYL BROMIDE TECH. 85 |
| Article Data: | 81 |
| Molecular Structure: | |
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| Formula: | C4H7Br |
| Molecular Weight: | 135.004 |
| Synonyms: | 2-Butene,1-bromo-, (E)- (8CI);(2E)-1-Bromo-2-butene;(2E)-1-Bromobut-2-ene;(E)-1-Bromo-2-butene;(E)-2-Buten-1-yl bromide;(E)-4-Bromo-2-butene;(E)-But-2-enyl bromide;(E)-Crotyl bromide;1-Bromo-trans-2-butene;trans-1-Bromo-2-butene;trans-4-Bromo-2-butene;trans-But-2-enyl bromide; |
| Density: | 1.331 g/cm3 |
| Melting Point: | -115.07°C (estimate) |
| Boiling Point: | 104.5 °C at 760 mmHg |
| Flash Point: | 11.1 °C |
| Appearance: | Clear light yellow to yellow-brown liquid |
| Hazard Symbols: |
 F, Xi
|
| Risk Codes: | 11-36/37-36/37/38 |
| Safety: | 16-26-27-36/37/39 |
| Transport Information: | 1993 |
| PSA: | 0.00000 |
| LogP: | 1.95740 |
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Specification
The CAS register number of 2-Butene, 1-bromo-,(2E)- is 29576-14-5. It also can be called as (E)-But-2-enyl bromide and the IUPAC name about this chemical is (E)-1-bromobut-2-ene. The molecular formula about this chemical is C4H7Br and the molecular weight is 135.00238.
Physical properties about 2-Butene, 1-bromo-,(2E)- are: (1)ACD/LogP: 2.31; (2)ACD/LogD (pH 5.5): 2.31; (3)ACD/LogD (pH 7.4): 2.31; (4)ACD/BCF (pH 5.5): 33.67; (5)ACD/BCF (pH 7.4): 33.67; (6)ACD/KOC (pH 5.5): 431.31; (7)ACD/KOC (pH 7.4): 431.31; (8)#Freely Rotating Bonds: 1; (9)Index of Refraction: 1.471; (10)Molar Refractivity: 28.36 cm3; (11)Molar Volume: 101.3 cm3; (12)Polarizability: 11.24x10-24cm3; (13)Surface Tension: 26.8 dyne/cm; (14)Density: 1.331 g/cm3; (15)Flash Point: 11.1 °C; (16)Enthalpy of Vaporization: 32.93 kJ/mol; (17)Boiling Point: 104.5 °C at 760 mmHg; (18)Vapour Pressure: 35.7 mmHg at 25 °C.
Preparation: this chemical can be prepared by but-2c-ene. This reaction will need reagent of bromine. The reaction time is 8 mins with reaction pressure of 0.5 - 10.000001. The yield is about 67.7%. The purpose of the study is product distribution.
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Uses of 2-Butene, 1-bromo-,(2E)-: it can be used to produce N-but-2-enyloxy-phthalimide with N-hydroxy-phthalimide. This reaction will need reagent of DBU and solvents of dimethylformamide, toluene. The reaction time is 0.5 hour with ambient temperature. The yield is about 96%.
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When you are using this chemical, please be cautious about it as the following:
This chemical is highly flammable and irritating to eyes and respiratory system and skin. It may cause inflammation to the skin or other mucous membranes. If you want to use this chemical, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to store it, please keep away from sources of ignition. And if it stains your clothing, take off immediately all contaminated clothing. This chemical may catch fire if in contact with air, only needing brief contact with an ignition source, and it has a very low flash point or evolve highly flammable gases in contact with water.
You can still convert the following datas into molecular structure:
(1)SMILES: BrC/C=C/C
(2)InChI: InChI=1/C4H7Br/c1-2-3-4-5/h2-3H,4H2,1H3/b3-2+
(3)InChIKey: AVMHMVJVHYGDOO-NSCUHMNNBF
(4)Std. InChI: InChI=1S/C4H7Br/c1-2-3-4-5/h2-3H,4H2,1H3/b3-2+
(5)Std. InChIKey: AVMHMVJVHYGDOO-NSCUHMNNSA-N