4-Methoxy-1-nitro-2-(trifluoromethyl)benzene supplier

Name
4-METHOXY-1-NITRO-2-TRIFLUOROMETHYL-BENZENE
EINECS
CAS No. 344-39-8
Article Data7
CAS DataBase
Density 1.392
Solubility
Melting Point
Formula C₈H₆F₃NO₃
Boiling Point 275.7 °C at 760 mmHg
Molecular Weight 221.136
Flash Point 120.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Anisole,4-nitro-3-(trifluoromethyl)- (8CI);4-Nitro-3-trifluoromethylanisole;
PSA 55.05000
LogP 3.14540

4-Methoxy-1-nitro-2-(trifluoromethyl)benzene Specification

The 4-Methoxy-1-nitro-2-(trifluoromethyl)benzene is also its systematic name. Its cas registry number is 344-39-8. This chemical belongs to the categorie of Trifluoromethyl-benzene series.

The physical properties about this chemical are: (1)ACD/LogP: 3.15; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.15; (4)ACD/LogD (pH 7.4): 3.15; (5)ACD/BCF (pH 5.5): 146.24; (6)ACD/BCF (pH 7.4): 146.24; (7)ACD/KOC (pH 5.5): 1234.11; (8)ACD/KOC (pH 7.4): 1234.11; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2 ; (12)Index of Refraction: 1.471; (13)Molar Refractivity: 44.45 cm³; (14)Molar Volume: 158.7 cm³; (15)Surface Tension: 31.6 dyne/cm; (16)Density: 1.392 g/cm³; (17)Flash Point: 120.5 °C; (18)Enthalpy of Vaporization: 49.35 kJ/mol; (19)Boiling Point: 275.7 °C at 760 mmHg; (20)Vapour Pressure: 0.00844 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)c1cc(OC)ccc1[N+]([O-])=O;
(2)InChI: InChI=1/C8H6F3NO3/c1-15-5-2-3-7(12(13)14)6(4-5)8(9,10)11/h2-4H,1H3;
(3)InChIKey: RBEXRIBHQSUANC-UHFFFAOYAK

Product Name

4-METHOXY-1-NITRO-2-TRIFLUOROMETHYL-BENZENE

4-Methoxy-1-nitro-2-(trifluoromethyl)benzene Specification

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