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| CAS No.: | 875664-38-3 |
|---|---|
| Name: | 1-BROMO-4,5-DIFLUORO-2-METHYL-BENZENE |
| Article Data: | 2 |
| Molecular Structure: | |
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| Formula: | C7H5BrF2 |
| Molecular Weight: | 207.018 |
| Synonyms: | 2-Bromo-4,5-difluorotoluene; |
| Density: | 1.588 g/cm3 |
| Boiling Point: | 183.5 °C at 760 mmHg |
| Flash Point: | 64.8 °C |
| Risk Codes: | 20/21/22-36/37/38 |
| Safety: | 26-36/37/39 |
| PSA: | 0.00000 |
| LogP: | 3.03570 |
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Specification
This chemical is called Benzene,1-bromo-4,5-difluoro-2-methyl-, and it can also be named as 2-Bromo-4,5-difluorotoluene. With the molecular formula of C7H5BrF2, its molecular weight is 207.02. The CAS registry number of this chemical is 875664-38-3. Additionally, its product category is Aromatic Halides (substituted).
Other characteristics of the Benzene,1-bromo-4,5-difluoro-2-methyl- can be summarised as followings: (1)ACD/LogP: 3.39; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.39; (4)ACD/LogD (pH 7.4): 3.39; (5)#H bond acceptors: 0; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 0; (8)Index of Refraction: 1.506; (9)Molar Refractivity: 38.75 cm3; (10)Molar Volume: 130.3 cm3; (11)Polarizability: 15.36×10-24cm3; (12)Surface Tension: 31.8 dyne/cm; (13)Density: 1.588 g/cm3; (14)Flash Point: 64.8 °C; (15)Enthalpy of Vaporization: 40.25 kJ/mol; (16)Boiling Point: 183.5 °C at 760 mmHg; (17)Vapour Pressure: 1.05 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following: This chemical is harmful by inhalation, in contacting with skin and if swallowed. Wear suitable protective clothing, gloves and eye/face protection. 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: Fc1cc(C)c(Br)cc1F
2.InChI: InChI=1/C7H5BrF2/c1-4-2-6(9)7(10)3-5(4)8/h2-3H,1H3
3.InChIKey: FKEURBCLFHOBDM-UHFFFAOYAX