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Furan, 3-(bromomethyl)- (63184-61-2)

Identification
Name:Furan, 3-(bromomethyl)-
Synonyms:3-(Bromomethyl)furan;3-Furylmethyl bromide;
CAS:63184-61-2
Molecular Formula: C5H5BrO
Molecular Weight: 161.00
InChI: InChI=1/C5H5BrO/c6-3-5-1-2-7-4-5/h1-2,4H,3H2
Molecular Structure: (C5H5BrO) 3-(Bromomethyl)furan;3-Furylmethyl bromide;
Properties
Density:1.583 g/cm3
Refractive index:1.526
Specification:

The 3-(Bromomethyl)furan with the CAS number 63184-61-2 is also called Furan, 3-(bromomethyl)-. Its molecular formula is C5H5BrO. The product category is Furans. This chemical is a kind of organics. It should be stored in dry and cool environment.

The properties of the 3-(Bromomethyl)furan are: (1)ACD/LogP: 2.23; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 22; (6)ACD/BCF (pH 7.4): 22; (7)ACD/KOC (pH 5.5): 323; (8)ACD/KOC (pH 7.4): 323; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 13.14 Å2; (13)Index of Refraction: 1.526; (14)Molar Refractivity: 31.201 cm3; (15)Molar Volume: 101.72 cm3; (16)Polarizability: 12.369×10-24cm3; (17)Surface Tension: 36.605 dyne/cm; (18)Enthalpy of Vaporization: 37.042 kJ/mol; (19)Vapour Pressure: 5.122 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: BrCc1ccoc1
(2)InChI: InChI=1/C5H5BrO/c6-3-5-1-2-7-4-5/h1-2,4H,3H2
(3)InChIKey: HOEQXFUBJFGJKA-UHFFFAOYAU

Safety Data