Name: 2-Bromo-1-fluoro-4-iodobenzene
SKU: 811842-30-5

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Basic Information

Molecular Structure:
CAS No.:	811842-30-5
Name:	2-Bromo-1-fluoro-4-iodobenzene
Article Data:	3

Formula:	C₆H₃BrFI
Molecular Weight:	300.897
Synonyms:	2-Bromo-1-fluoro-4-iodobenzene;3-Bromo-4-fluoroiodobenzene;
Density:	2.281 g/cm³
Boiling Point:	243.4 °C at 760 mmHg
Flash Point:	101 °C
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36/37/39
PSA:	0.00000
LogP:	3.19280

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Specification

The CAS register number of 2-Bromo-1-fluoro-4-iodobenzene is 811842-30-5. It also can be called as 3-Bromo-4-fluoroiodobenzene and the systematic name about this chemical is 2-bromo-1-fluoro-4-iodobenzene. The molecular formula about this chemical is C₆H₃BrFI and molecular weight is 300.89. It belongs to the following product categories, such as Aromatic Halides (substituted); Bromine Compounds; Fluorine Compounds; Iodine Compounds; Fluorinated benzene series and so on.

Physical properties about 2-Bromo-1-fluoro-4-iodobenzene are: (1)ACD/LogP: 3.92; (2)ACD/LogD (pH 5.5): 3.92; (3)ACD/LogD (pH 7.4): 3.92; (4)ACD/BCF (pH 5.5): 562.71; (5)ACD/BCF (pH 7.4): 562.71; (6)ACD/KOC (pH 5.5): 3237.86; (7)ACD/KOC (pH 7.4): 3237.86; (8)Index of Refraction: 1.628; (9)Molar Refractivity: 46.84 cm³; (10)Molar Volume: 131.9 cm³; (11)Polarizability: 18.57x10^-24cm³; (12)Surface Tension: 44.4 dyne/cm; (13)Flash Point: 101 °C; (14)Enthalpy of Vaporization: 46.09 kJ/mol; (15)Boiling Point: 243.4 °C at 760 mmHg; (16)Vapour Pressure: 0.0503 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. When you are using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: Ic1cc(Br)c(F)cc1
(2)InChI: InChI=1/C6H3BrFI/c7-5-3-4(9)1-2-6(5)8/h1-3H
(3)InChIKey: LHRMBQARSBULRX-UHFFFAOYAC
(4)Std. InChI: InChI=1S/C6H3BrFI/c7-5-3-4(9)1-2-6(5)8/h1-3H
(5)Std. InChIKey: LHRMBQARSBULRX-UHFFFAOYSA-N