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CAS No.: | 127371-50-0 |
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Name: | 4,5-DIFLUORO-2-NITROTOLUENE |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C7H5F2NO2 |
Molecular Weight: | 173.119 |
Synonyms: | 4,5-Difluoro-2-nitrotoluene; |
Density: | 1.374g/cm3 |
Boiling Point: | 224.5 °C at 760 mmHg |
Flash Point: | 97.9 °C |
Hazard Symbols: | Xi |
Risk Codes: | Xi:Irritant; "> Xi:Irritant; |
PSA: | 45.82000 |
LogP: | 2.70460 |
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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