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1996-69-6

Basic Information
CAS No.: 1996-69-6
Name: Benzene,1-(4-methoxyphenoxy)-2-nitro-4-(trifluoromethyl)-
Molecular Structure:
Molecular Structure of 1996-69-6 (Benzene,1-(4-methoxyphenoxy)-2-nitro-4-(trifluoromethyl)-)
Formula: C14H10F3NO4
Molecular Weight: 313.2287
Synonyms: 1-(4-Methoxyphenoxy)-2-nitro-4-(trifluoromethyl)benzene;
EINECS:
Density: 1.365 g/cm3
Melting Point: 45 °C
Boiling Point: 349 °C at 760 mmHg
Flash Point: 164.9 °C
Solubility:
Appearance:
Hazard Symbols: IrritantXi
Risk Codes: 20/21/22-36/37/38
Safety: 23-26-36/37/39
Transport Information:
PSA: 64.28000
LogP: 4.93770
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  • 4-(4-methoxyphenoxy)-3-nitrobenzotrifluoride CAS NO.1996-69-6

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    1996-69-6

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  • Benzene,1-(4-methoxyphenoxy)-2-nitro-4-(trifluoromethyl)-

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Specification

The Benzene,1-(4-methoxyphenoxy)-2-nitro-4-(trifluoromethyl)-, with the CAS registry number 1996-69-6, is also known as 1-(4-Methoxyphenoxy)-2-nitro-4-(trifluoromethyl)benzene. This chemical's molecular formula is C14H10F3NO4 and molecular weight is 313.2287. What's more, its systematic name which is called 1-(4-Methoxyphenoxy)-2-nitro-4-(trifluoromethyl)benzene.

Physical properties about Benzene,1-(4-methoxyphenoxy)-2-nitro-4-(trifluoromethyl)- are: (1)ACD/LogP: 3.35; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.35; (4)ACD/LogD (pH 7.4): 3.35; (5)ACD/BCF (pH 5.5): 205.33; (6)ACD/BCF (pH 7.4): 205.33; (7)ACD/KOC (pH 5.5): 1573.49; (8)ACD/KOC (pH 7.4): 1573.49; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 64.28 Å2; (13)Index of Refraction: 1.53; (14)Molar Refractivity: 70.9 cm3; (15)Molar Volume: 229.3 cm3; (16)Polarizability: 28.1×10-24 cm3; (17)Surface Tension: 37.5 dyne/cm; (18)Density: 1.365 g/cm3; (19)Flash Point: 164.9 °C; (20)Enthalpy of Vaporization: 57 kJ/mol; (21)Boiling Point: 349 °C at 760 mmHg; (22)Vapour Pressure: 9.78E-05 mmHg at 25 °C; (23)Melting Point: 45 °C.

Preparation of Benzene,1-(4-methoxyphenoxy)-2-nitro-4-(trifluoromethyl)-: this chemical can be prepared by 4-Methoxy-phenol and 1-Fluoro-2-nitro-4-trifluoromethyl-benzene.

Benzene,1-(4-methoxyphenoxy)-2-nitro-4-(trifluoromethyl)- can be prepared by 4-Methoxy-phenol and 1-Fluoro-2-nitro-4-trifluoromethyl-benzene

This reaction needs reagents KF*Al2O3, 18-crown-6 and solvent acetonitrile. The reaction time is 16 hours. The yield is 56%.

When you are dealing with this chemical, you should be very careful. This chemical is irritating to eyes, respiratory system and skin. Its harmful if in contact with skin; swallowed; inhalation. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. Do not breathe gas/fumes/vapour/spray (appropriate wording to be specified by the manufacturer). In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: FC(F)(F)c2ccc(Oc1ccc(OC)cc1)c(c2)[N+]([O-])=O
(2) InChI: InChI=1/C14H10F3NO4/c1-21-10-3-5-11(6-4-10)22-13-7-2-9(14(15,16)17)8-12(13)18(19)20/h2-8H,1H3
(3) InChIKey: WJNPONNEXMSLPF-UHFFFAOYAQ