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2-Bromo-6-fluorotoluene

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Name

2-Bromo-6-fluorotoluene

EINECS N/A
CAS No. 1422-54-4 Density 1.498 g/cm3
PSA 0.00000 LogP 2.89660
Solubility N/A Melting Point N/A
Formula C7H6BrF Boiling Point 180.2 °C at 760 mmHg
Molecular Weight 189.027 Flash Point 65.2 °C
Transport Information N/A Appearance N/A
Safety 26-36/37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 1422-54-4 (2-Bromo-6-fluorotoluene) Hazard Symbols IrritantXi
Synonyms

Toluene,2-bromo-6-fluoro- (7CI,8CI);1-Bromo-3-fluoro-2-methylbenzene;

Article Data 1

2-Bromo-6-fluorotoluene Specification

This chemical is called Benzene, 1-bromo-3-fluoro-2-methyl-, and its systematic name is 1-bromo-3-fluoro-2-methylbenzene. With the molecular formula of C7H6BrF, its product categories are Aromatic Halides (substituted); Halogen toluene; Bromine Compounds; Fluorine Compounds. The CAS registry number of this chemical is 1422-54-4. In addition, this chemical should be sealed in the cool and dry plcace, away from oxides. 

Other characteristics of the Benzene, 1-bromo-3-fluoro-2-methyl- can be summarised as followings: (1)ACD/LogP: 3.49; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.49; (4)ACD/LogD (pH 7.4): 3.49; (5)ACD/BCF (pH 5.5): 265.37; (6)ACD/BCF (pH 7.4): 265.37; (7)ACD/KOC (pH 5.5): 1890.62; (8)ACD/KOC (pH 7.4): 1890.62; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0 ; (12)Index of Refraction: 1.526; (13)Molar Refractivity: 38.76 cm3; (14)Molar Volume: 126.1 cm3; (15)Polarizability: 15.36×10-24cm3; (16)Surface Tension: 33.1 dyne/cm; (17)Density: 1.498 g/cm3; (18)Flash Point: 65.2 °C; (19)Enthalpy of Vaporization: 39.94 kJ/mol; (20)Boiling Point: 180.2 °C at 760 mmHg; (21)Vapour Pressure: 1.23 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure: 
1.SMILES: Fc1cccc(Br)c1C
2.InChI: InChI=1/C7H6BrF/c1-5-6(8)3-2-4-7(5)9/h2-4H,1H3
3.InChIKey: DJGXPFQIMLEVPA-UHFFFAOYAV

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