CAS No.3013-27-2,3-FLUORO-2-NITROTOLUENE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	3013-27-2
Name:	3-FLUORO-2-NITROTOLUENE
Article Data:	2

Formula:	C₇H₆FNO₂
Molecular Weight:	155.129
Synonyms:	Toluene,3-fluoro-2-nitro- (7CI,8CI);1-Fluoro-3-methyl-2-nitrobenzene;
Density:	1.274 g/cm³
Melting Point:	17-18℃
Boiling Point:	226.1 °C at 760 mmHg
Flash Point:	90.5 °C
PSA:	45.82000
LogP:	2.56550

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Specification

The Benzene,1-fluoro-3-methyl-2-nitro- is an organic compound with the formula C₇H₆FNO₂. The systematic name of this chemical is 1-fluoro-3-methyl-2-nitrobenzene. With the CAS registry number 3013-27-2, it is also named as 3-Fluoro-2-nitrotoluene.

Physical properties about Benzene,1-fluoro-3-methyl-2-nitro- are: (1)ACD/LogP: 2.15; (2)ACD/LogD (pH 5.5): 2.15; (3)ACD/LogD (pH 7.4): 2.15; (4)ACD/BCF (pH 5.5): 25.35; (5)ACD/BCF (pH 7.4): 25.35; (6)ACD/KOC (pH 5.5): 352.08; (7)ACD/KOC (pH 7.4): 352.08; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 45.82 Å²; (11)Index of Refraction: 1.53; (12)Molar Refractivity: 37.61 cm³; (13)Molar Volume: 121.7 cm³; (14)Polarizability: 14.91×10^-24cm³; (15)Surface Tension: 40.6 dyne/cm; (16)Density: 1.274 g/cm³; (17)Flash Point: 90.5 °C; (18)Enthalpy of Vaporization: 44.38 kJ/mol; (19)Boiling Point: 226.1 °C at 760 mmHg; (20)Vapour Pressure: 0.125 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=N(=O)c1c(C)cccc1F
(2)InChI: InChI=1/C7H6FNO2/c1-5-3-2-4-6(8)7(5)9(10)11/h2-4H,1H3
(3)InChIKey: JSXAJLMUBSEJFF-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C7H6FNO2/c1-5-3-2-4-6(8)7(5)9(10)11/h2-4H,1H3
(5)Std. InChIKey: JSXAJLMUBSEJFF-UHFFFAOYSA-N