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2-Butene, 1-bromo-,(2E)-

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Name

2-Butene, 1-bromo-,(2E)-

EINECS N/A
CAS No. 29576-14-5 Density 1.331 g/cm3
PSA 0.00000 LogP 1.95740
Solubility N/A Melting Point -115.07°C (estimate)
Formula C4H7Br Boiling Point 104.5 °C at 760 mmHg
Molecular Weight 135.004 Flash Point 11.1 °C
Transport Information 1993 Appearance Clear light yellow to yellow-brown liquid
Safety 16-26-27-36/37/39 Risk Codes 11-36/37-36/37/38
Molecular Structure Molecular Structure of 29576-14-5 (CROTYL BROMIDE  TECH.  85) Hazard Symbols FlammableF,IrritantXi
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;

Article Data 81

2-Butene, 1-bromo-,(2E)- 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.

2-Butene, 1-bromo-,(2E)- can be prepared by but-2c-ene.

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%.

2-Butene, 1-bromo-,(2E)- can be used to produce N-but-2-enyloxy-phthalimide with N-hydroxy-phthalimide.

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

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