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5856-82-6

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Basic Information
CAS No.: 5856-82-6
Name: BUTYRYL BROMIDE
Molecular Structure:
Molecular Structure of 5856-82-6 (BUTYRYL BROMIDE)
Formula: C4H7BrO
Molecular Weight: 151.003
Synonyms: Butyrylbromide (7CI,8CI);Butyryl bromide;
Density: 1.44 g/cm3
Boiling Point: 129.143 °C at 760 mmHg
Flash Point: 54.868 °C
PSA: 17.07000
LogP: 1.70800
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Specification

The CAS register number of Butanoyl bromide is 5856-82-6. It also can be called as Butyryl bromide. The molecular formula about this chemical is C4H7BrO and the molecular weight is 151.

Physical properties about Butanoyl bromide are: (1)ACD/LogP: 1.65; (2)ACD/LogD (pH 5.5): 2; (3)ACD/LogD (pH 7.4): 2; (4)ACD/BCF (pH 5.5): 11; (5)ACD/BCF (pH 7.4): 11; (6)ACD/KOC (pH 5.5): 197; (7)ACD/KOC (pH 7.4): 197; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 17.07 Å2; (11)Index of Refraction: 1.453; (12)Molar Refractivity: 28.342 cm3; (13)Molar Volume: 104.864 cm3; (14)Polarizability: 11.236x10-24cm3; (15)Surface Tension: 31.534 dyne/cm; (16)Density: 1.44 g/cm3; (17)Flash Point: 54.868 °C; (18)Enthalpy of Vaporization: 36.684 kJ/mol; (19)Boiling Point: 129.143 °C at 760 mmHg; (20)Vapour Pressure: 10.3 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: BrC(=O)CCC
(2)InChI: InChI=1/C4H7BrO/c1-2-3-4(5)6/h2-3H2,1H3
(3)InChIKey: QAWBXZYPFCFQLA-UHFFFAOYAK
(4)Std. InChI: InChI=1S/C4H7BrO/c1-2-3-4(5)6/h2-3H2,1H3
(5)Std. InChIKey: QAWBXZYPFCFQLA-UHFFFAOYSA-N