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202865-75-6

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Basic Information
CAS No.: 202865-75-6
Name: 5-BROMO-2-FLUORO-4-IODOTOLUENE
Molecular Structure:
Molecular Structure of 202865-75-6 (5-BROMO-2-FLUORO-4-IODOTOLUENE)
Formula: C7H5BrFI
Molecular Weight: 314.92
Synonyms: 1-Bromo-4-fluoro-2-iodo-5-methylbenzene;
Density: 2.168 g/cm3
Boiling Point: 258.8 °C at 760 mmHg
Flash Point: 110.3 °C
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-36/37/39
PSA: 0.00000
LogP: 3.50120
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Specification

The Benzene,1-bromo-4-fluoro-2-iodo-5-methyl-, with the CAS registry number 202865-75-6, is also known as 5-Bromo-2-fluoro-4-iodotoluene. It belongs to the product categories of Bromine Compounds; Fluorine Compounds; Iodine Compounds. This chemical's molecular formula is C7H5BrFI and molecular weight is 314.92. What's more, its systematic name is called 1-Bromo-4-fluoro-2-iodo-5-methylbenzene.

Physical properties about Benzene,1-bromo-4-fluoro-2-iodo-5-methyl- are: (1) ACD/LogP: 4.39; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 4.39; (4) ACD/LogD (pH 7.4): 4.39; (5) ACD/BCF (pH 5.5): 1271.18; (6) ACD/BCF (pH 7.4): 1271.18; (7) ACD/KOC (pH 5.5): 5802.17; (8) ACD/KOC (pH 7.4): 5802.17; (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: 1.614; (14) Molar Refractivity: 51.66 cm3; (15) Molar Volume: 148.1 cm3; (16) Surface Tension: 42.4 dyne/cm; (17) Density: 2.125 g/cm3; (18) Flash Point: 110.3 °C; (19) Enthalpy of Vaporization: 47.63 kJ/mol; (20) Boiling Point: 258.8 °C at 760 mmHg; (21) Vapour Pressure: 0.0217 mmHg at 25 °C.

When you are dealing with this chemical, you should be very careful. This chemical is irritating to eyes, respiratory system and skin. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. 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: Fc1c(cc(Br)c(I)c1)C
(2) InChI: InChI=1/C7H5BrFI/c1-4-2-5(8)7(10)3-6(4)9/h2-3H,1H3
(3) InChIKey: TZXUAIBBPDNZQO-UHFFFAOYAU