CAS No.401-84-3,3,5-Dibromobenzotrifluoride Suppliers

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Basic Information

Molecular Structure:
CAS No.:	401-84-3
Name:	3,5-Dibromobenzotrifluoride
Article Data:	2

Formula:	C₇H₃Br₂F₃
Molecular Weight:	303.904
Synonyms:	3,5-Dibromobenzotrifluoride;1,3-Dibromo-5-(trifluoromethyl)benzene;3,5-Dibromo-1-(trifluoromethyl)benzene;
Density:	1.956 g/cm³
Melting Point:	47.4-48.0 °C
Boiling Point:	200.1 °C at 760 mmHg
Flash Point:	74.8 °C
Solubility:	Slightly soluble in water.
PSA:	0.00000
LogP:	4.23040

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Specification

The Benzene,1,3-dibromo-5-(trifluoromethyl)-, with the CAS registry number 401-84-3, is also known as 3,5-Dibromobenzotrifluoride. This chemical's molecular formula is C₇H₃Br₂F₃ and molecular weight is 303.90. What's more, its IUPAC name is 1,3-dibromo-5-(trifluoromethyl)benzene. It can be storaged at the room temperature.

Physical properties of Benzene,1,3-dibromo-5-(trifluoromethyl)- are: (1)ACD/LogP: 3.67; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.67; (4)ACD/LogD (pH 7.4): 3.67; (5)ACD/BCF (pH 5.5): 363.35; (6)ACD/BCF (pH 7.4): 363.35; (7)ACD/KOC (pH 5.5): 2367.48; (8)ACD/KOC (pH 7.4): 2367.48; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 0 Å²; (13)Index of Refraction: 1.512; (14)Molar Refractivity: 46.61 cm³; (15)Molar Volume: 155.3 cm³; (16)Polarizability: 18.47×10^-24cm³; (17)Surface Tension: 30.6 dyne/cm; (18)Density: 1.956 g/cm³; (19)Flash Point: 74.8 °C; (20)Enthalpy of Vaporization: 41.85 kJ/mol; (21)Boiling Point: 200.1 °C at 760 mmHg; (22)Vapour Pressure: 0.467 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc1cc(cc(Br)c1)C(F)(F)F
(2)Std. InChI: InChI=1S/C7H3Br2F3/c8-5-1-4(7(10,11)12)2-6(9)3-5/h1-3H
(3)Std. InChIKey: OFNXSUANJLHGQN-UHFFFAOYSA-N