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1435-52-5

Basic Information
CAS No.: 1435-52-5
Name: 1,4-DIBROMO-2-FLUOROBENZENE
Article Data: 2
Molecular Structure:
Molecular Structure of 1435-52-5 (1,4-DIBROMO-2-FLUOROBENZENE)
Formula: C6H3Br2F
Molecular Weight: 253.896
Synonyms: NSC 402971;2-Fluoro-1,4-dibromobenzene;1,4-Dibromo-2-fluorobenzene;2,5-Dibromo-1-fluorobenzene;
EINECS: 629-432-3
Density: 2.014 g/cm3
Melting Point: 33-36 °C(lit.)
Boiling Point: 213.858 °C at 760 mmHg
Flash Point: 101.667 °C
Solubility: Insoluble in water.
Appearance: white crystalline mass
Hazard Symbols: IrritantXi,HarmfulXn
Risk Codes: 36/37/38-22
Safety: 26-36-37/39
PSA: 0.00000
LogP: 3.35070
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Specification

The Benzene,1,4-dibromo-2-fluoro-, with the CAS registry number 1435-52-5, is also known as 2-Fluoro-1,4-dibromobenzene. It belongs to the product categories of Benzene series; Bromine Compounds; Fluorine Compounds; Aryl; C6; Halogenated Hydrocarbons. This chemical's molecular formula is C6H3Br2F and molecular weight is 253.89. What's more, its systematic name is 1,4-Dibromo-2-fluorobenzene. This chemical should be sealed and stored in a cool, ventilated and dry place. Moreover, it should be protected from oxides and should be ensured that the workshop is well ventilated or equipped with exhaust devices.

Physical properties of Benzene,1,4-dibromo-2-fluoro- are: (1)ACD/LogP: 3.176; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.18; (4)ACD/LogD (pH 7.4): 3.18; (5)ACD/BCF (pH 5.5): 152.77; (6)ACD/BCF (pH 7.4): 152.77; (7)ACD/KOC (pH 5.5): 1273.32; (8)ACD/KOC (pH 7.4): 1273.32; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Index of Refraction: 1.575; (13)Molar Refractivity: 41.627 cm3; (14)Molar Volume: 126.013 cm3; (15)Polarizability: 16.502×10-24cm3; (16)Surface Tension: 39.24 dyne/cm; (17)Density: 2.015 g/cm3; (18)Flash Point: 101.667 °C; (19)Enthalpy of Vaporization: 43.183 kJ/mol; (20)Boiling Point: 213.858 °C at 760 mmHg; (21)Vapour Pressure: 0.234 mmHg at 25°C.

Uses of Benzene,1,4-dibromo-2-fluoro-: it can be used to produce 1,4-dibromo-2-fluoro-5-nitro-benzene at the temperature of 0 - 20 °C. It will need reagents CF3COOH, (CF3CO)2O, NH4NO3 and solvent CH2Cl2. The yield is about 89%.

Benzene,1,4-dibromo-2-fluoro- can be used to produce 1,4-dibromo-2-fluoro-5-nitro-benzene at the temperature of 0 - 20 °C

When you are using this chemical, please be cautious about it as the following:
This chemical is harmful if swallowed. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc1ccc(Br)c(F)c1
(2)Std. InChI: InChI=1S/C6H3Br2F/c7-4-1-2-5(8)6(9)3-4/h1-3H
(3)Std. InChIKey: WNSNPGHNIJOOPM-UHFFFAOYSA-N