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Name |
2-Chloro-4-fluoro-5-nitrotoluene |
EINECS | 1592732-453-0 |
CAS No. | 112108-73-3 | Density | 1.418 g/cm3 |
PSA | 45.82000 | LogP | 3.21890 |
Solubility | Slightly soluble in water. | Melting Point |
34-36 °C |
Formula | C7H5ClFNO2 | Boiling Point | 267.555 °C at 760 mmHg |
Molecular Weight | 189.574 | Flash Point | 115.614 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Benzene, 1-chloro-5-fluoro-2-methyl-4-nitro-; |
The CAS register number of 2-Chloro-4-fluoro-5-nitrotoluene is 112108-73-3. It also can be called as Benzene, 1-chloro-5-fluoro-2-methyl-4-nitro- and the systematic name about this chemical is 1-chloro-5-fluoro-2-methyl-4-nitrobenzene. The molecular formula about this chemical is C7H5ClFNO2 and the molecular weight is 189.57.
Physical properties about 2-Chloro-4-fluoro-5-nitrotoluene are: (1)ACD/LogP: 2.79; (2)ACD/LogD (pH 5.5): 2; (3)ACD/LogD (pH 7.4): 2; (4)ACD/BCF (pH 5.5): 37; (5)ACD/BCF (pH 7.4): 37; (6)ACD/KOC (pH 5.5): 458; (7)ACD/KOC (pH 7.4): 458; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 45.82Å2; (11)Index of Refraction: 1.549; (12)Molar Refractivity: 42.512 cm3; (13)Molar Volume: 133.711 cm3; (14)Polarizability: 16.853x10-24cm3; (15)Surface Tension: 43.503 dyne/cm; (16)Enthalpy of Vaporization: 48.521 kJ/mol; (17)Boiling Point: 267.555 °C at 760 mmHg; (18)Vapour Pressure: 0.013 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1cc(F)c([N+]([O-])=O)cc1C
(2)InChI: InChI=1/C7H5ClFNO2/c1-4-2-7(10(11)12)6(9)3-5(4)8/h2-3H,1H3
(3)InChIKey: YXVJHZWHPLOEAP-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C7H5ClFNO2/c1-4-2-7(10(11)12)6(9)3-5(4)8/h2-3H,1H3
(5)Std. InChIKey: YXVJHZWHPLOEAP-UHFFFAOYSA-N