Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
3-Fluoro-6-nitro-1,2-dimethylbenzene |
EINECS | N/A | ||||
CAS No. | 1736-87-4 | Density | 1.09g/cm3 | ||||
PSA | 45.82000 | LogP | 2.87390 | ||||
Solubility | N/A | Melting Point |
39-42℃ |
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Formula | C8H8FNO2 | Boiling Point | 155.2°Cat760mmHg | ||||
Molecular Weight | 169.155 | Flash Point | 36.3°C | ||||
Transport Information | N/A | Appearance | N/A | ||||
Safety |
|
Risk Codes |
Xi:Irritant; |
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Molecular Structure | Hazard Symbols | ||||||
Synonyms |
o-Xylene,3-fluoro-6-nitro- (7CI,8CI);2,3-Dimethyl-4-fluoro-1-nitrobenzene;2,3-Dimethyl-4-fluoronitrobenzene; |
Article Data | 2 |
The 3-Fluoro-6-nitro-1,2-dimethylbenzene, with the cas registry number 1736-87-4, has the systematic name of Benzene, 1-fluoro-2,3-dimethyl-4-nitro-. And the molecular fomula of the chemical is C8H8FNO2.
The characteristics of this chemical are as followings: (1)ACD/LogP: 2.72; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.72; (4)ACD/LogD (pH 7.4): 2.72 ; (5)#H bond acceptors: 3; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 1; (8)Polar Surface Area: 45.82 Å2; (9)Index of Refraction: 1.527; (10)Molar Refractivity: 42.44 cm3; (11)Molar Volume: 138 cm3; (12)Polarizability: 16.82×10-24cm3; (13)Surface Tension: 39.1 dyne/cm; (14)Density: 1.225 g/cm3; (15)Flash Point: 105.2 °C; (16)Enthalpy of Vaporization: 46.78 kJ/mol; (17)Boiling Point: 250.3 °C at 760 mmHg; (18)Vapour Pressure: 0.0346 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Cc1c(ccc(F)c1C)[N+]([O-])=O
(2)InChI: InChI=1/C8H8FNO2/c1-5-6(2)8(10(11)12)4-3-7(5)9/h3-4H,1-2H3
(3)InChIKey: GLDMIZKOJPVEIV-UHFFFAOYAA