CAS No.51229-51-7,1-(4-(Bromomethyl)phenyl)ethanone Suppliers

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Basic Information

Molecular Structure:
CAS No.:	51229-51-7
Name:	1-(4-(Bromomethyl)phenyl)ethanone
Article Data:	52

Formula:	C₉H₉BrO
Molecular Weight:	213.074
Synonyms:	1-(4-Bromomethylphenyl)ethanone;4-Acetylbenzyl bromide;4'-(Bromomethyl)acetophenone;p-(Bromomethyl)acetophenone;p-Acetylbenzylbromide;1-(4-(bromomethyl)phenyl)ethanone;
Density:	1.416 g/cm³
Melting Point:	38.5-40.0℃
Boiling Point:	291.4 °C at 760 mmHg
Flash Point:	94.1 °C
PSA:	17.07000
LogP:	2.78410

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Specification

The Ethanone, 1-[4-(bromomethyl)phenyl]-, with the CAS registry number 51229-51-7, is also known as p-(Bromomethyl)acetophenone. This chemical's molecular formula is C₉H₉BrO and molecular weight is 213.073. What's more, its systematic name is called 1-[4-(Bromomethyl)phenyl]ethanone.

Physical properties about Ethanone, 1-[4-(bromomethyl)phenyl]- are: (1)ACD/LogP: 2.37; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.37; (4)ACD/LogD (pH 7.4): 2.37; (5)ACD/BCF (pH 5.5): 36.98; (6)ACD/BCF (pH 7.4): 36.98; (7)ACD/KOC (pH 5.5): 461.24; (8)ACD/KOC (pH 7.4): 461.24; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 17.07 Å²; (13)Index of Refraction: 1.563; (14)Molar Refractivity: 48.92 cm³; (15)Molar Volume: 150.4 cm³; (16)Surface Tension: 41.2 dyne/cm; (17)Density: 1.416 g/cm³; (18)Flash Point: 94.1 °C; (19)Enthalpy of Vaporization: 53.09 kJ/mol; (20)Boiling Point: 291.4 °C at 760 mmHg; (21)Vapour Pressure: 0.00195 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: BrCc1ccc(C(=O)C)cc1
(2) InChI: InChI=1/C9H9BrO/c1-7(11)9-4-2-8(6-10)3-5-9/h2-5H,6H2,1H3
(3) InChIKey: HARITLZHGNEHDS-UHFFFAOYAW