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CAS No.: | 557-93-7 |
---|---|
Name: | 2-BROMOPROPENE |
Article Data: | 25 |
Molecular Structure: | |
Formula: | C3H5Br |
Molecular Weight: | 120.977 |
Synonyms: | Propene,2-bromo- (8CI);2-Bromo-1-propene;2-Bromopropylene;Isopropenyl bromide;a-Methylvinyl bromide; |
EINECS: | 209-185-4 |
Density: | 1.405 g/cm3 |
Melting Point: | -87 °C |
Boiling Point: | 48.399 °C at 760 mmHg |
Flash Point: | -7.691 °C |
Solubility: | Immiscible with water. |
Appearance: | light yellow-green liquid |
Hazard Symbols: | F,Xi |
Risk Codes: | 11-36/37/38 |
Safety: | 23-26-36 |
Transport Information: | UN 1993 3/PG 2 |
PSA: | 0.00000 |
LogP: | 1.91490 |
2,3-dibromo-2-methylpropanoic acid
2-bromoprop-1-ene
Conditions | Yield |
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With picoline at 80℃; | 77% |
Conditions | Yield |
---|---|
Stage #1: acetone With magnesium sulfate; hydrazine hydrate In methanol at 20℃; Stage #2: acetone hydrazone With pyridine; N-Bromosuccinimide In dichloromethane at -10 - 0℃; | 74% |
pyridine
2,3-dibromo-2-methylpropanoic acid
2-bromoprop-1-ene
ethanol
1,2-Dibromopropane
sodium phenoxide
A
(Z)-1-propenyl bromide
B
trans-2-propenyl bromide
C
2-bromoprop-1-ene
1,2-Dibromopropane
sodium phenoxide
A
1-bromo-1-propene
B
2-bromoprop-1-ene
Conditions | Yield |
---|---|
With potassium carbonate | |
With sodium phenoxide | |
With sodium phenoxide | |
With sodium ethanolate |
Conditions | Yield |
---|---|
With sodium ethanolate at 100℃; | |
With potassium carbonate |
Conditions | Yield |
---|---|
With water; hydrogen; oxygen at 37℃; under 150 Torr; Product distribution; Irradiation; variation of system composition and initial pressure; |
1,4-dibromo-butane
2-propenyl cation
A
2-bromoprop-1-ene
B
bromolanium
Conditions | Yield |
---|---|
Mechanism; Irradiation; |
The 2-Bromopropene, with the CAS registry number 557-93-7, is also known as 2-Bromo-1-propene. It belongs to the classification code of Mutation Data. Its EINECS registry number is 209-185-4. This chemical's molecular formula is C3H5Br and molecular weight is 120.98. What's more, its IUPAC name is called 2-Bromoprop-1-ene. It should be stored in a cool, dry and well-ventilated place.
Physical properties about 2-Bromopropene are: (1)ACD/LogP: 1.989; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.99; (4)ACD/LogD (pH 7.4): 1.99; (5)ACD/BCF (pH 5.5): 19.11; (6)ACD/BCF (pH 7.4): 19.11; (7)ACD/KOC (pH 5.5): 287.60; (8)ACD/KOC (pH 7.4): 287.60; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.452; (14)Molar Refractivity: 23.247 cm3; (15)Molar Volume: 86.132 cm3; (16)Polarizability: 9.216×10-24cm3; (17)Surface Tension: 23.103 dyne/cm; (18)Density: 1.405 g/cm3; (19)Flash Point: -7.691 °C; (20)Enthalpy of Vaporization: 27.992 kJ/mol; (21)Boiling Point: 48.399 °C at 760 mmHg; (22)Vapour Pressure: 324.193 mmHg at 25 °C.
Uses of 2-Bromopropene: (1) it is used as refrigerant and can be used in organic synthesis; (2) it is used to produce other chemicals. For example, it can react with nonanal to get 2-methyl-undec-1-en-3-ol. This reaction needs reagent chromium(II) chloride and solvent dimethylformamide at temperature of 25 °C. The reaction time is 3 hours. The yield is 62 %.
When you are dealing with this chemical, you should be very careful. This chemical may cause inflammation to the skin or other mucous membranes. And it is irritating to eyes, respiratory system and skin. It may catch fire in contact with air, only need brief contact with an ignition source and have a very low flash point or evolve highly flammable gases in contact with water. Therefore, you should wear suitable protective clothing and can not breathe the gas/fumes/vapour/spray. 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: CC(=C)Br
(2) InChI: InChI=1S/C3H5Br/c1-3(2)4/h1H2,2H3
(3) InChIKey: PHMRPWPDDRGGGF-UHFFFAOYSA-N