CAS No.502496-33-5,2-Bromo-4-fluoro-6-nitrotoluene Suppliers

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Basic Information

Molecular Structure:
CAS No.:	502496-33-5
Name:	2-Bromo-4-fluoro-6-nitrotoluene
Article Data:	17

Formula:	C₇H₅BrFNO₂
Molecular Weight:	234.025
Synonyms:	Benzene, 1-bromo-5-fluoro-2-methyl-3-nitro-;
Density:	1.696 g/cm³
Boiling Point:	259.4 °C at 760 mmHg
Flash Point:	110.7 °C
Hazard Symbols:	Xi

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Specification

The 2-Bromo-4-fluoro-6-nitrotoluene, with the CAS registry number 502496-33-5, is also known as Benzene, 1-bromo-5-fluoro-2-methyl-3-nitro-. It belongs to the product category of Halogen Toluene. This chemical's molecular formula is C₇H₅BrFNO₂ and molecular weight is 234.02. What's more, its systematic name is 1-Bromo-5-fluoro-2-methyl-3-nitrobenzene. In addition, this chemical may cause inflammation to the skin or other mucous membranes.

Physical properties about 2-Bromo-4-fluoro-6-nitrotoluene are: (1)ACD/LogP: 2.93; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.93; (4)ACD/LogD (pH 7.4): 2.93; (5)ACD/BCF (pH 5.5): 98.52; (6)ACD/BCF (pH 7.4): 98.52; (7)ACD/KOC (pH 5.5): 930.23; (8)ACD/KOC (pH 7.4): 930.23; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 45.82 Å²; (13)Index of Refraction: 1.57; (14)Molar Refractivity: 45.3 cm³; (15)Molar Volume: 137.9 cm³; (16)Polarizability: 17.96×10^-24 cm³; (17)Surface Tension: 45.3 dyne/cm; (18)Density: 1.696 g/cm³; (19)Flash Point: 110.7 °C; (20)Enthalpy of Vaporization: 47.7 kJ/mol; (21)Boiling Point: 259.4 °C at 760 mmHg; (22)Vapour Pressure: 0.021 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Brc1cc(F)cc([N+]([O-])=O)c1C
(2) InChI: InChI=1/C7H5BrFNO2/c1-4-6(8)2-5(9)3-7(4)10(11)12/h2-3H,1H3
(3) InChIKey: ZVDFTBJXUXQPAU-UHFFFAOYAF