4,5-Difluoro-2-nitrotoluene supplier

Name
4,5-DIFLUORO-2-NITROTOLUENE
EINECS
CAS No. 127371-50-0
Article Data2
CAS DataBase
Density 1.374g/cm³
Solubility
Melting Point
Formula C₇H₅F₂NO₂
Boiling Point 224.5 °C at 760 mmHg
Molecular Weight 173.119
Flash Point 97.9 °C
Transport Information
Appearance
Safety
Risk Codes Xi:Irritant;
Molecular Structure
Hazard Symbols Xi
Synonyms 4,5-Difluoro-2-nitrotoluene;
PSA 45.82000
LogP 2.70460

4,5-Difluoro-2-nitrotoluene Specification

The Benzene,1,2-difluoro-4-methyl-5-nitro-, with CAS registry number 127371-50-0, has the systematic name of 1,2-difluoro-4-methyl-5-nitrobenzene. Besides this, it is also called 4,5-Difluoro-2-Nitrotoluene. And the chemical formula of this chemical is C₇H₅F₂NO₂.

Physical properties of Benzene,1,2-difluoro-4-methyl-5-nitro-: (1)ACD/LogP: 2.12; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.12; (4)ACD/LogD (pH 7.4): 2.12; (5)ACD/BCF (pH 5.5): 24.13; (6)ACD/BCF (pH 7.4): 24.13; (7)ACD/KOC (pH 5.5): 339.81; (8)ACD/KOC (pH 7.4): 339.81; (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: 1.508; (14)Molar Refractivity: 37.61 cm³; (15)Molar Volume: 125.9 cm³; (16)Polarizability: 14.91×10^-24cm³; (17)Surface Tension: 38.9 dyne/cm; (18)Density: 1.374 g/cm³; (19)Flash Point: 97.9 °C; (20)Enthalpy of Vaporization: 44.23 kJ/mol; (21)Boiling Point: 224.5 °C at 760 mmHg; (22)Vapour Pressure: 0.135 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1cc([N+]([O-])=O)c(cc1F)C
(2)InChI: InChI=1/C7H5F2NO2/c1-4-2-5(8)6(9)3-7(4)10(11)12/h2-3H,1H3
(3)InChIKey: DJEBTFSOEQWELL-UHFFFAOYAW
(4)Std. InChI: InChI=1S/C7H5F2NO2/c1-4-2-5(8)6(9)3-7(4)10(11)12/h2-3H,1H3
(5)Std. InChIKey: DJEBTFSOEQWELL-UHFFFAOYSA-N

Product Name

4,5-DIFLUORO-2-NITROTOLUENE

4,5-Difluoro-2-nitrotoluene Specification

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