Benzene, 1-(2-bromoethyl)-4-(phenylmethoxy)- supplier

Name
1-(2-Bromoethyl)-4-(phenylmethoxy)benzene
EINECS
CAS No. 52446-52-3
Article Data8
CAS DataBase
Density 1.323 g/cm³
Solubility
Melting Point 62-63 °C
Formula C₁₅H₁₅BrO
Boiling Point 374.634 °C at 760 mmHg
Molecular Weight 291.187
Flash Point 146.098 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-(Benzyloxy)-4-(2-bromoethyl)benzene;Benzyl 4-(2-bromoethyl)phenyl ether;1-(2-Bromoethyl)-4-(Phenylmethoxy)benzene;
PSA 9.23000
LogP 4.20300

Benzene, 1-(2-bromoethyl)-4-(phenylmethoxy)- Specification

The Benzene, 1-(2-bromoethyl)-4-(phenylmethoxy)-, with the CAS registry number 52446-52-3, is also known as Benzyl 4-(2-bromoethyl)phenyl ether. This chemical's molecular formula is C₁₅H₁₅BrO and molecular weight is 291.19. What's more, its systematic name is 1-(benzyloxy)-4-(2-bromoethyl)benzene.

Physical properties of Benzene, 1-(2-bromoethyl)-4-(phenylmethoxy)- are: (1)ACD/LogP: 4.36; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 5; (4)ACD/LogD (pH 7.4): 5; (5)ACD/BCF (pH 5.5): 2048; (6)ACD/BCF (pH 7.4): 2048; (7)ACD/KOC (pH 5.5): 8164; (8)ACD/KOC (pH 7.4): 8164; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 9.23 Å²; (13)Index of Refraction: 1.594; (14)Molar Refractivity: 74.7 cm³; (15)Molar Volume: 220.136 cm³; (16)Polarizability: 29.613×10^-24cm³; (17)Surface Tension: 43.34 dyne/cm; (18)Density: 1.323 g/cm³; (19)Flash Point: 146.098 °C; (20)Enthalpy of Vaporization: 59.764 kJ/mol; (21)Boiling Point: 374.634 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: BrCCc2ccc(OCc1ccccc1)cc2
(2)InChI: InChI=1S/C15H15BrO/c16-11-10-13-6-8-15(9-7-13)17-12-14-4-2-1-3-5-14/h1-9H,10-12H2
(3)InChIKey: MKOBEVFCFUMCGG-UHFFFAOYSA-N

Product Name

1-(2-Bromoethyl)-4-(phenylmethoxy)benzene

Benzene, 1-(2-bromoethyl)-4-(phenylmethoxy)- Specification

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