CAS No.701-45-1,3-Bromo-4-fluoronitrobenzene Suppliers

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Basic Information

Molecular Structure:
CAS No.:	701-45-1
Name:	3-Bromo-4-fluoronitrobenzene
Article Data:	21

Formula:	C₆H₃BrFNO₂
Molecular Weight:	219.998
Synonyms:	2-Bromo-1-fluoro-4-nitrobenzene;3-Bromo-4-fluoro-1-nitrobenzene;
EINECS:	211-855-6
Density:	1.808 g/cm³
Melting Point:	55°C
Boiling Point:	250.6 °C at 760 mmHg
Flash Point:	105.4 °C
Solubility:	Slightly soluble in water.
Appearance:	colorless to light yellow liquid
Hazard Symbols:	Xn, Xi
PSA:	45.82000
LogP:	3.01960

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Specification

The Benzene,2-bromo-1-fluoro-4-nitro-, with the CAS registry number 701-45-1, is also known as 3-Bromo-4-fluoronitrobenzene. It belongs to the product categories of Bromides; FluoroCompounds; NitroCompounds; Fluorinated benzene series. Its EINECS number is 211-855-6. This chemical's molecular formula is C₆H₃BrFNO₂ and formula weight is 220.00. What's more, its IUPAC name is 2-bromo-1-fluoro-4-nitrobenzene.

Physical properties of Benzene,2-bromo-1-fluoro-4-nitro- are: (1)ACD/LogP: 2.29; (2)ACD/LogD (pH 5.5): 2.29; (3)ACD/BCF (pH 5.5): 32.3; (4)ACD/KOC (pH 5.5): 418.75; (5)#H bond acceptors: 3; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 1; (8)Polar Surface Area: 45.82 Å²; (9)Index of Refraction: 1.579; (10)Molar Refractivity: 40.48 cm³; (11)Molar Volume: 121.6 cm³; (12)Surface Tension: 48 dyne/cm; (13)Density: 1.808 g/cm³; (14)Flash Point: 105.4 °C; (15)Enthalpy of Vaporization: 46.81 kJ/mol; (16)Boiling Point: 250.6 °C at 760 mmHg; (17)Vapour Pressure: 0.034 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC(=C(C=C1[N+](=O)[O-])Br)F
(2)InChI: InChI=1S/C6H3BrFNO2/c7-5-3-4(9(10)11)1-2-6(5)8/h1-3H
(3)InChIKey: FAWMTDSAMOCUAR-UHFFFAOYSA-N