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| CAS No.: | 5875-25-2 |
|---|---|
| Name: | 2-BROMOPROPIONAMIDE |
| Molecular Structure: | |
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| Formula: | C3H6BrNO |
| Molecular Weight: | 151.991 |
| Synonyms: | Propionamide,2-bromo- (6CI,7CI,8CI);2-Bromopropanamide;2-Bromopropionamide;NSC 402153;a-Bromopropanamide;a-Bromopropionamide; |
| Density: | 1.644g/cm3 |
| Melting Point: | 123-125 °C(lit.) |
| Boiling Point: | 248.3 °C at 760 mmHg |
| Flash Point: | 104 °C |
| Hazard Symbols: |
 Xi
|
| PSA: | 43.09000 |
| LogP: | 0.95540 |
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Specification
The Propanamide, 2-bromo-, with CAS registry number 5875-25-2, belongs to the following product categories: (1)Amides; (2)Carbonyl Compounds; (3)Organic Building Blocks. It has the systematic name of 2-bromopropanamide. Its classification code is Mutation data. And the chemical formula of this chemical is C3H6BrNO.
Physical properties of Propanamide, 2-bromo-: (1)ACD/LogP: -0.17; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.17; (4)ACD/LogD (pH 7.4): -0.17; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 19.17; (8)ACD/KOC (pH 7.4): 19.17; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 20.31 Å2; (13)Index of Refraction: 1.5; (14)Molar Refractivity: 27.2 cm3; (15)Molar Volume: 92.4 cm3; (16)Polarizability: 10.78×10-24cm3; (17)Surface Tension: 41.9 dyne/cm; (18)Density: 1.644 g/cm3; (19)Flash Point: 104 °C; (20)Enthalpy of Vaporization: 48.55 kJ/mol; (21)Boiling Point: 248.3 °C at 760 mmHg; (22)Vapour Pressure: 0.0244 mmHg at 25°C.
Preparation: this chemical can be prepared by 2-bromo-propionic acid ethyl ester. This reaction will need reagents water, ammonia.
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Uses of Propanamide, 2-bromo-: it can be used to produce 2-bromo-propionitrile. This reaction will need reagent P2O5.
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You can still convert the following datas into molecular structure:
(1)SMILES: BrC(C(=O)N)C
(2)InChI: InChI=1/C3H6BrNO/c1-2(4)3(5)6/h2H,1H3,(H2,5,6)
(3)InChIKey: AUHYZQCEIVEMFH-UHFFFAOYAU
(4)Std. InChI: InChI=1S/C3H6BrNO/c1-2(4)3(5)6/h2H,1H3,(H2,5,6)
(5)Std. InChIKey: AUHYZQCEIVEMFH-UHFFFAOYSA-N