Benzene,1-methoxy-5-methyl-4-nitro-2-(trifluoromethyl)- supplier

Name
2-METHOXY-4-METHYL-5-NITROBENZOTRIFLUORIDE
EINECS
CAS No. 933673-45-1
Density 1.343 g/cm³
Solubility
Melting Point
Formula C₉H₈F₃NO₃
Boiling Point 283.9 °C at 760 mmHg
Molecular Weight 235.163
Flash Point 125.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-Methoxy-5-methyl-4-nitro-2-trifluoromethylbenzene;Benzene, 1-methoxy-5-methyl-4-nitro-2-(trifluoromethyl)-;Methyl 5-methyl-4-nitro-2-(trifluoromethyl)phenyl ether;1-Methoxy-5-methyl-4-nitro-2-trifluoromethyl-;2-Methoxy-4-methyl-5-nitrobenzotrifluoride;
PSA 55.05000
LogP 3.45380

Benzene,1-methoxy-5-methyl-4-nitro-2-(trifluoromethyl)- Specification

The Benzene,1-methoxy-5-methyl-4-nitro-2-(trifluoromethyl)-, with the CAS registry number 933673-45-1, has the systematic name of 1-methoxy-5-methyl-4-nitro-2-(trifluoromethyl)benzene. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C₉H₈F₃NO₃.

The characteristics of Benzene,1-methoxy-5-methyl-4-nitro-2-(trifluoromethyl)- are as followings: (1)ACD/LogP: 3.63; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.62; (4)ACD/LogD (pH 7.4): 3.62; (5)#H bond acceptors: 4; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 2; (8)Polar Surface Area: 55.05 Å²; (9)Index of Refraction: 1.474; (10)Molar Refractivity: 49.28 cm³; (11)Molar Volume: 175 cm³; (12)Polarizability: 19.53×10^-24 cm³; (13)Surface Tension: 31.3 dyne/cm; (14)Density: 1.343 g/cm³; (15)Flash Point: 125.5 °C; (16)Enthalpy of Vaporization: 50.19 kJ/mol; (17)Boiling Point: 283.9 °C at 760 mmHg; (18)Vapour Pressure: 0.00526 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Cc1cc(c(cc1[N+](=O)[O-])C(F)(F)F)OC
(2)InChI: InChI=1/C9H8F3NO3/c1-5-3-8(16-2)6(9(10,11)12)4-7(5)13(14)15/h3-4H,1-2H3
(3)InChIKey: PAMCCYLUISPVGC-UHFFFAOYAP

Product Name

2-METHOXY-4-METHYL-5-NITROBENZOTRIFLUORIDE

Benzene,1-methoxy-5-methyl-4-nitro-2-(trifluoromethyl)- Specification

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