CAS No.4254-67-5,4-(BENZYLOXY)-PHENACYL BROMIDE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	4254-67-5
Name:	4-(BENZYLOXY)-PHENACYL BROMIDE
Article Data:	42

Formula:	C₁₅H₁₃BrO₂
Molecular Weight:	305.171
Synonyms:	4'-(Benzyloxy)-a-bromoacetophenone;4'-Benzyloxy-2-bromoacetophenone;4-(Benzyloxy)phenacyl bromide;2-Bromo-1-[4-(phenylmethoxy)phenyl]ethanone;2-Bromo-4'-(benzyloxy)acetophenone;Acetophenone,4'-(benzyloxy)-2-bromo- (7CI,8CI);1-[4-(Benzyloxy)phenyl]-2-bromoethanone;2-Bromo-1-(4-benzyloxyphenyl)ethan-1-one;1-(Benzyloxy)-4-(bromoacetyl)benzene;
Density:	1.394 g/cm³
Melting Point:	91 °C
Boiling Point:	419.498 °C at 760 mmHg
Flash Point:	207.505 °C
PSA:	26.30000
LogP:	3.84320

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Specification

The Ethanone,2-bromo-1-[4-(phenylmethoxy)phenyl]-, with the CAS registry number 4254-67-5, is also known as 1-(Benzyloxy)-4-(bromoacetyl)benzene. This chemical's molecular formula is C₁₅H₁₃BrO₂ and molecular weight is 305.17. What's more, its systematic name is called 1-[4-(Benzyloxy)phenyl]-2-bromoethanone.

Physical properties about Ethanone,2-bromo-1-[4-(phenylmethoxy)phenyl]- are: (1)ACD/LogP: 3.66; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4; (4)ACD/LogD (pH 7.4): 4; (5)ACD/BCF (pH 5.5): 562; (6)ACD/BCF (pH 7.4): 562; (7)ACD/KOC (pH 5.5): 3235; (8)ACD/KOC (pH 7.4): 3235; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.603; (14)Molar Refractivity: 75.179 cm³; (15)Molar Volume: 218.85 cm³; (16)Surface Tension: 47.128 dyne/cm; (17)Density: 1.394 g/cm³; (18)Flash Point: 207.505 °C; (19)Enthalpy of Vaporization: 67.321 kJ/mol; (20)Boiling Point: 419.498 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: BrCC(=O)c2ccc(OCc1ccccc1)cc2
(2) InChI: InChI=1/C15H13BrO2/c16-10-15(17)13-6-8-14(9-7-13)18-11-12-4-2-1-3-5-12/h1-9H,10-11H2
(3) InChIKey: IAPCKPXQFYWNDN-UHFFFAOYAM