CAS No.42768-45-6,2-Bromovalerylchloride Suppliers

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Basic Information

Molecular Structure:
CAS No.:	42768-45-6
Name:	2-Bromovalerylchloride
Article Data:	14

Formula:	C₅H₈BrClO
Molecular Weight:	199.475
Synonyms:	α-Bromovaleroyl chloride;α-Bromopentanoyl chloride;
Density:	1.498 g/cm³
Boiling Point:	179.384 °C at 760 mmHg
Flash Point:	62.29 °C
PSA:	17.07000
LogP:	2.31540

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Specification

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 NaHCO₃and solvent CH₂Cl₂ with the reaction time of 5 hours. The yield is about 70%.

2-Bromovalerylchloride can be used to produce1,4-bis-(2-bromo-pentanoyl)-[1,4]diazepane at the temperature of 0 °C

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