3-Fluoro-5-nitrotoluene supplier

Name
3-Fluoro-5-nitrotoluene
EINECS
CAS No. 499-08-1
Article Data3
CAS DataBase
Density 1.274 g/cm³
Solubility
Melting Point 40.0-40.5 °C(Solv: water (7732-18-5); methanol (67-56-1))
Formula C₇H₆FNO₂
Boiling Point 229.975 °C at 760 mmHg
Molecular Weight 155.129
Flash Point 92.886 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-fluoro-3-methyl-5-nitrobenzene;benzene, 1-fluoro-3-methyl-5-nitro-;
PSA 45.82000
LogP 2.56550

3-Fluoro-5-nitrotoluene Specification

The 3-Fluoro-5-nitrotoluene, with the CAS registry number 499-08-1, has the systematic name of 1-fluoro-3-methyl-5-nitrobenzene. And the molecular formula of this chemical is C₇H₆FNO₂. It belongs to the following product categories: Aromatic Hydrocarbons (substituted) & Derivatives; Halogen toluene.

The physical properties of 3-Fluoro-5-nitrotoluene are as following: (1)ACD/LogP: 2.36; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 37; (6)ACD/BCF (pH 7.4): 37; (7)ACD/KOC (pH 5.5): 458; (8)ACD/KOC (pH 7.4): 458; (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: 1.53; (14)Molar Refractivity: 37.617 cm³; (15)Molar Volume: 121.76 cm³; (16)Polarizability: 14.913×10^-24cm³; (17)Surface Tension: 40.693 dyne/cm; (18)Density: 1.274 g/cm³; (19)Flash Point: 92.886 °C; (20)Enthalpy of Vaporization: 44.764 kJ/mol; (21)Boiling Point: 229.975 °C at 760 mmHg; (22)Vapour Pressure: 0.102 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Cc1cc(cc(F)c1)N(=O)=O
(2)InChI: InChI=1/C7H6FNO2/c1-5-2-6(8)4-7(3-5)9(10)11/h2-4H,1H3
(3)InChIKey: IPMURRZVEWZEPP-UHFFFAOYAN

Product Name

3-Fluoro-5-nitrotoluene

3-Fluoro-5-nitrotoluene Specification

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