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CAS No.: | 31575-75-4 |
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Name: | 2-BENZYLOXYBROMOBENZENE |
Article Data: | 55 |
Molecular Structure: | |
Formula: | C13H11BrO |
Molecular Weight: | 263.134 |
Synonyms: | Ether,benzyl o-bromophenyl (8CI);1-Benzyloxy-2-bromobenzene;1-Bromo-2-benzyloxybenzene;2-(Benzyloxy)bromobenzene;2-Benzyloxy-1-bromobenzene;2-Bromophenol benzyl ether;2-Bromophenyl benzyl ether;Benzyl 2-bromophenylether; |
Density: | 1.382 g/cm3 |
Boiling Point: | 335.2 °C at 760 mmHg |
Flash Point: | 138.2 °C |
PSA: | 9.23000 |
LogP: | 4.02810 |
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The Benzene, 1-bromo-2-(phenylmethoxy)-, with the CAS registry number 31575-75-4, is also known as 1-Bromo-2-benzyloxybenzene. It belongs to the product categories of Anisoles, Alkyloxy Compounds & Phenylacetates; Bromine Compounds. This chemical's molecular formula is C13H11BrO and molecular weight is 263.13. What's more, its systematic name is 1-(Benzyloxy)-2-bromobenzene. In addition, it must be stored in airtight containers and placed in a dry, cool place. Besides, you should ensure the work place is well-ventilated.
Physical properties about Benzene, 1-bromo-2-(phenylmethoxy)- are: (1)ACD/LogP: 4.36; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.36; (4)ACD/LogD (pH 7.4): 4.36; (5)ACD/BCF (pH 5.5): 1213.84; (6)ACD/BCF (pH 7.4): 1213.84; (7)ACD/KOC (pH 5.5): 5613.6; (8)ACD/KOC (pH 7.4): 5613.6; (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: 1.599; (14)Molar Refractivity: 65.1 cm3; (15)Molar Volume: 190.3 cm3; (16)Polarizability: 25.81×10-24 cm3; (17)Surface Tension: 42.7 dyne/cm; (18)Density: 1.382 g/cm3; (19)Flash Point: 138.2 °C; (20)Enthalpy of Vaporization: 55.54 kJ/mol; (21)Boiling Point: 335.2 °C at 760 mmHg; (22)Vapour Pressure: 0.000236 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Brc2ccccc2OCc1ccccc1
(2) InChI: InChI=1/C13H11BrO/c14-12-8-4-5-9-13(12)15-10-11-6-2-1-3-7-11/h1-9H,10H2
(3) InChIKey: NBHAHMHUMMWFPJ-UHFFFAOYAN