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2-Bromo-5-fluorotoluene

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Name

2-Bromo-5-fluorotoluene

EINECS 207-203-5
CAS No. 452-63-1 Density 1.498 g/cm3
PSA 0.00000 LogP 2.89660
Solubility insoluble in water Melting Point N/A
Formula C7H6BrF Boiling Point 181.4 °C at 760 mmHg
Molecular Weight 189.027 Flash Point 45 °C
Transport Information UN 1993 3/PG 3 Appearance colorless to light yellow liquid
Safety 16-26-36/37/39 Risk Codes 10-36/37/38
Molecular Structure Molecular Structure of 452-63-1 (2-Bromo-5-fluorotoluene) Hazard Symbols IrritantXi
Synonyms

1-Bromo-4-fluoro-2-methyl-benzene;

Article Data 4

2-Bromo-5-fluorotoluene Specification

The 2-Bromo-5-fluorotoluene, with the CAS registry number 452-63-1, is also known as Benzene, 1-bromo-4-fluoro-2-methyl-. It belongs to the product categories of Fluorin-Contained Toluene Series; Fluorobenzene; Fluoro-Aromatics; Aromatic Halides (substituted); Halogen Toluene; API Intermediates; Miscellaneous; Bromine Compounds; Fluorine Compounds; Benzenes; Aryl; C7; Halogenated Hydrocarbons. Its EINECS registry number is 207-203-5. This chemical's molecular formula is C7H6BrF and molecular weight is 189.02. What's more, both its IUPAC name and systematic name are the same which is called 1-Bromo-4-fluoro-2-methylbenzene. It should be kept in a cold, sealed and dry place.

Physical properties about 2-Bromo-5-fluorotoluene are: (1)ACD/LogP: 3.44; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.44; (4)ACD/LogD (pH 7.4): 3.44; (5)ACD/BCF (pH 5.5): 240.8; (6)ACD/BCF (pH 7.4): 240.8; (7)ACD/KOC (pH 5.5): 1763.6; (8)ACD/KOC (pH 7.4): 1763.6; (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: 1.526; (14)Molar Refractivity: 38.76 cm3; (15)Molar Volume: 126.1 cm3; (16)Surface Tension: 33.1 dyne/cm; (17) Density: 1.498 g/cm3; (18)Flash Point: 45 °C; (19)Enthalpy of Vaporization: 40.05 kJ/mol; (20)Boiling Point: 181.4 °C at 760 mmHg; (21)Vapour Pressure: 1.16 mmHg at 25 °C.

Preparation of 2-Bromo-5-fluorotoluene: this chemical can be prepared by Hexafluorophosphate de bromo-4-methyl-3-benzene diazonium. This reaction needs reagent paraffin at temperature of 120-130 °C. The yield is 76.5 %.

2-Bromo-5-fluorotoluene can be prepared by Hexafluorophosphate de bromo-4-methyl-3-benzene diazonium.

Uses of 2-Bromo-5-fluorotoluene: it is used to produce other chemicals. For example, it can produce 2-Bromo-5-fluoro-benzoic acid. The reaction occurs with reagent KMnO4, solvent H2O and other condition of heating. The yield is 70 %.

2-Bromo-5-fluorotoluene can react to get 2-Bromo-5-fluoro-benzoic acid.

When you are dealing with this chemical, you should be very careful. This chemical is inflammation to the skin, eyes and respiratory system or other mucous membranes. What's more, it's flammable. Therefore, you should wear suitable protective clothing, gloves, eye/face protection and keep away from sources of ignition. And in case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: Fc1ccc(Br)c(c1)C
(2) InChI: InChI=1S/C7H6BrF/c1-5-4-6(9)2-3-7(5)8/h2-4H,1H3
(3) InChIKey: RJPNVPITBYXBNB-UHFFFAOYSA-N

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