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244022-67-1

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Basic Information
CAS No.: 244022-67-1
Name: 2,4-DIBROMO-6-FLUOROPHENYL ISOTHIOCYANATE
Molecular Structure:
Molecular Structure of 244022-67-1 (2,4-DIBROMO-6-FLUOROPHENYL ISOTHIOCYANATE)
Formula: C7H2Br2FNS
Molecular Weight: 310.97
Synonyms: 1,5-Dibromo-3-fluoro-2-isothiocyanatobenzene;2,4-Dibromo-6-fluorophenyl isothiocyanate;
Density: 1.96 g/cm3
Melting Point: 50 °C
Boiling Point: 328.4 °C at 760 mmHg
Flash Point: 152.4 °C
Hazard Symbols: IrritantXi
PSA: 44.45000
LogP: 4.08500
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Specification

The Benzene,1,5-dibromo-3-fluoro-2-isothiocyanato-, with the CAS registry number 244022-67-1, is also known as 2,4-Dibromo-6-fluorophenyl isothiocyanate. This chemical's molecular formula is C7H2Br2FNS and molecular weight is 310.97. What's more, its systematic name is 1,5-dibromo-3-fluoro-2-isothiocyanatobenzene. When you are using this chemical, please be cautious about it. It may cause inflammation to the skin or other mucous membranes. 

Physical properties of Benzene,1,5-dibromo-3-fluoro-2-isothiocyanato- are: (1)ACD/LogP: 4.68; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.68; (4)ACD/LogD (pH 7.4): 4.68; (5)ACD/BCF (pH 5.5): 2118.73; (6)ACD/BCF (pH 7.4): 2118.73; (7)ACD/KOC (pH 5.5): 8363.75; (8)ACD/KOC (pH 7.4): 8363.75; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 44.45 Å2; (13)Index of Refraction: 1.649; (14)Molar Refractivity: 57.61 cm3; (15)Molar Volume: 158.1 cm3; (16)Polarizability: 22.84×10-24cm3; (17)Surface Tension: 43.3 dyne/cm; (18)Density: 1.96 g/cm3; (19)Flash Point: 152.4 °C; (20)Enthalpy of Vaporization: 54.81 kJ/mol; (21)Boiling Point: 328.4 °C at 760 mmHg; (22)Vapour Pressure: 0.000364 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc1cc(Br)cc(F)c1\N=C=S
(2)Std. InChI: InChI=1S/C7H2Br2FNS/c8-4-1-5(9)7(11-3-12)6(10)2-4/h1-2H
(3)Std. InChIKey: VDTMHXBNLSMARZ-UHFFFAOYSA-N