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Name |
2-Bromovalerylchloride |
EINECS | N/A |
CAS No. | 42768-45-6 | Density | 1.498 g/cm3 |
PSA | 17.07000 | LogP | 2.31540 |
Solubility | N/A | Melting Point |
N/A |
Formula | C5H8BrClO | Boiling Point | 179.384 °C at 760 mmHg |
Molecular Weight | 199.475 | Flash Point | 62.29 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
α-Bromovaleroyl chloride;α-Bromopentanoyl chloride; |
Article Data | 14 |
The 2-Bromovalerylchloride, with the CAS registry number 42768-45-6, is also known as α-Bromopentanoyl chloride. This chemical's molecular formula is C5H8BrClO and molecular weight is 199.47. What's more, its systematic name is 2-Bromopentanoyl chloride.
Physical properties of 2-Bromovalerylchloride are: (1)ACD/LogP: 2.565; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.57; (4)ACD/LogD (pH 7.4): 2.57; (5)ACD/BCF (pH 5.5): 52.37; (6)ACD/BCF (pH 7.4): 52.37; (7)ACD/KOC (pH 5.5): 591.74; (8)ACD/KOC (pH 7.4): 591.74; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 17.07 Å2; (13)Index of Refraction: 1.479; (14)Molar Refractivity: 37.783 cm3; (15)Molar Volume: 133.132 cm3; (16)Polarizability: 14.978×10-24cm3; (17)Surface Tension: 35.125 dyne/cm; (18)Density: 1.498 g/cm3; (19)Flash Point: 62.29 °C; (20)Enthalpy of Vaporization: 41.566 kJ/mol; (21)Boiling Point: 179.384 °C at 760 mmHg; (22)Vapour Pressure: 0.9 mmHg at 25°C.
Uses of 2-Bromovalerylchloride: it can be used to produce1,4-bis-(2-bromo-pentanoyl)-[1,4]diazepane at the temperature of 0 °C. It will need regent NaHCO3 and solvent CH2Cl2 with the reaction time of 5 hours. The yield is about 70%.
You can still convert the following datas into molecular structure:
(1)SMILES: BrC(C(Cl)=O)CCC
(2)Std. InChI: InChI=1S/C5H8BrClO/c1-2-3-4(6)5(7)8/h4H,2-3H2,1H3
(3)Std. InChIKey: PMUTYIACIXXOGC-UHFFFAOYSA-N