CAS No.36881-42-2,1-(BROMOMETHYL)-4-PHENOXYBENZENE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	36881-42-2
Name:	1-(BROMOMETHYL)-4-PHENOXYBENZENE
Article Data:	13

Formula:	C₁₃H₁₁BrO
Molecular Weight:	263.134
Synonyms:	Ether, a-bromo-p-tolyl phenyl (6CI);1-Bromomethyl-4-phenoxybenzene;4-(Bromomethyl)diphenyl ether;4-Phenoxybenzylbromide;p-Phenoxybenzyl bromide;
EINECS:	253-253-6
Density:	1.388 g/cm³
Boiling Point:	328.3 °C at 760 mmHg
Flash Point:	129.2 °C
Hazard Symbols:	C
Risk Codes:	43
Safety:	36/37
PSA:	9.23000
LogP:	4.37380

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Specification

The Benzene,1-(bromomethyl)-4-phenoxy-, with the CAS registry number 36881-42-2 and EINECS registry number 253-253-6, has the systematic name and IUPAC name of 1-(bromomethyl)-4-phenoxybenzene. It belongs to the product category of Pharmacetical. And the molecular formula of the chemical is C₁₃H₁₁BrO.

The characteristics of Benzene,1-(bromomethyl)-4-phenoxy- are as followings: (1)ACD/LogP: 4.91; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.91; (4)ACD/LogD (pH 7.4): 4.91; (5)ACD/BCF (pH 5.5): 3178.05; (6)ACD/BCF (pH 7.4): 3178.05; (7)ACD/KOC (pH 5.5): 11179.99; (8)ACD/KOC (pH 7.4): 11179.99; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 9.23 Å²; (13)Index of Refraction: 1.605; (14)Molar Refractivity: 65.34 cm³; (15)Molar Volume: 189.5 cm³; (16)Polarizability: 25.9×10^-24cm³; (17)Surface Tension: 43.7 dyne/cm; (18)Density: 1.388 g/cm³; (19)Flash Point: 129.2 °C; (20)Enthalpy of Vaporization: 54.8 kJ/mol; (21)Boiling Point: 328.3 °C at 760 mmHg; (22)Vapour Pressure: 0.000366 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: BrCc2ccc(Oc1ccccc1)cc2
(2)InChI: InChI=1/C13H11BrO/c14-10-11-6-8-13(9-7-11)15-12-4-2-1-3-5-12/h1-9H,10H2
(3)InChIKey: CPIGBCFBFZSCQI-UHFFFAOYAN