CAS No.90267-03-1,1-Bromo-3,5-diethylbenzene Suppliers

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Basic Information

Molecular Structure:
CAS No.:	90267-03-1
Name:	1-Bromo-3,5-diethylbenzene
Article Data:	4

Formula:	C₁₀H₁₃Br
Molecular Weight:	213.117
Synonyms:	Benzene, 1-bromo-3,5-diethyl-;3,5-Diethylbromobenzene;
Density:	1.244 g/cm³
Boiling Point:	246.956 °C at 760 mmHg
Flash Point:	102.846 °C
PSA:	0.00000
LogP:	3.57390

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Specification

1-Bromo-3,5-diethylbenzene is an organic compound with the formula C₁₀H₁₃Br, and its systematic name is the same with the product name. With the CAS registry number 90267-03-1, it is also named as Benzene, 1-bromo-3,5-diethyl-. In addition, the molecular weight is 213.11.

Physical properties of 1-Bromo-3,5-diethylbenzene are: (1)ACD/LogP: 5.061; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.06; (4)ACD/LogD (pH 7.4): 5.06; (5)ACD/BCF (pH 5.5): 4137.39; (6)ACD/BCF (pH 7.4): 4137.39; (7)ACD/KOC (pH 5.5): 13503.49; (8)ACD/KOC (pH 7.4): 13503.49; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.532; (13)Molar Refractivity: 53.042 cm³; (14)Molar Volume: 171.253 cm³; (15)Polarizability: 21.027×10^-24cm³; (16)Surface Tension: 33.16 dyne/cm; (17)Density: 1.244 g/cm³; (18)Flash Point: 102.846 °C; (19)Enthalpy of Vaporization: 46.45 kJ/mol; (20)Boiling Point: 246.956 °C at 760 mmHg; (21)Vapour Pressure: 0.041 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc1cc(cc(c1)CC)CC
(2)Std. InChI: InChI=1S/C10H13Br/c1-3-8-5-9(4-2)7-10(11)6-8/h5-7H,3-4H2,1-2H3
(3)Std. InChIKey: GJZCXWCBZPSQEV-UHFFFAOYSA-N