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Basic Information
CAS No.: 101-16-6
Name: 3-Methoxydiphenylamine
Article Data: 64
Molecular Structure:
Molecular Structure of 101-16-6 (3-Methoxydiphenylamine)
Formula: C13H13NO
Molecular Weight: 199.252
Synonyms: m-Anisidine,N-phenyl- (6CI,7CI,8CI);3-Methoxy-N-phenylaniline;N-(3-Methoxyphenyl)-N-phenylamine;N-(m-Methoxyphenyl)aniline;N-Phenyl-m-anisidine;m-Methoxydiphenylamine;
EINECS: 202-921-5
Density: 1.11 g/cm3
Melting Point: 72-74 °C
Boiling Point: 329.8 °C at 760 mmHg
Flash Point: 132 °C
Appearance: Buff color powder form
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-37/39
PSA: 21.26000
LogP: 3.51180
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  • 3-Methoxydiphenylamine

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    3-Methoxydiphenylamine

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  • 3-MethoxydiphenylaMine

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    3-MethoxydiphenylaMine

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    high quality Storage:Sealed, dry, microtherm , avoid light and smell. Package:According to the demand of customer Application:Organic synthesis Transportation:by air or by sea

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    3-Methoxydiphenylamine

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    Our clients, like BASF,CHEMO,Brenntag,ASR,Evonik,Merck and etc.Appearance:COA Storage:in stock Application:MSDS/TDS

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    3-MethoxydiphenylaMine

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    Ansciep Chemical is a professional enterprise manufacturing and distributing fine chemicals and speciality chemicals. We have been dedicated to heterocycle compounds and phenyl rings for tens of years. This is our mature product for export. Our quali

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  • N-phenyl-3-methoxyaniline

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    101-16-6

    N-phenyl-3-methoxyaniline

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    We are a trading company aiming at providing high-quality services to customers. Established for many years, with good reputation in the industry Storage:Sealed and preserved Application:Fine chemical intermediates, used as the main raw material for

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  • 3-Methoxydiphenylamine

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    101-16-6

    3-Methoxydiphenylamine

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    We product this chemical more than 10 years . We are very experience to export it to many countries, Our superior & stable quality , competitive price gain warm reception from our customers. Application:Chemical intermediate

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Specification

The IUPAC name of 3-Methoxydiphenylamine is 3-methoxy-N-phenylaniline. With the CAS registry number 101-16-6, it is also named as N-Phenyl-m-anisidine. The product's categories are Intermediates of Dyes and Pigments; Stains and Dyes; Stains & Dyes, A to. The formula is C13H13NO and the molecular weight is 199.25.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 3.12; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.12; (4)ACD/LogD (pH 7.4): 3.12; (5)ACD/BCF (pH 5.5): 138.27; (6)ACD/BCF (pH 7.4): 138.27; (7)ACD/KOC (pH 5.5): 1185.6; (8)ACD/KOC (pH 7.4): 1185.61; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Index of Refraction: 1.61; (13)Molar Refractivity: 62.3 cm3; (14)Molar Volume: 179.4 cm3; (15)Polarizability: 24.69×10-24 cm3; (16)Surface Tension: 42.1 dyne/cm; (17)Enthalpy of Vaporization: 57.24 kJ/mol; (18)Vapour Pressure: 0.000173 mmHg at 25°C; (19)Rotatable Bond Count: 3; (20)Exact Mass: 199.099714; (21)MonoIsotopic Mass: 199.099714; (22)Topological Polar Surface Area: 21.3; (23)Heavy Atom Count: 15; (24)Complexity: 177.

Preparation of 3-Methoxydiphenylamine: It can be obtained by aniline and 3-iodo-anisole. This reaction needs reagents (1,1'-bis(diphenylphosφno)ferrocene)PdCl2, 1,1'-bis(diphenylphosphino)ferrocene/Pd, sodium tert-butoxide and solvent tetrahydrofuran at temperature of 100 °C. The reaction time is 3 hours. The yield is 92%.

Uses of 3-Methoxydiphenylamine: It is used as intermediate of dye, medicine and rubber. It also can react with 4,4'-diiodo-biphenyl to get N,N'-Bis-(m-methoxyphenyl)-N,N'-diphenylbenzidin. This reaction which is a kind of Ullmann condensation needs reagents 1,10-phenanthroline, cuprous chloride, potassium hydroxide and solvent toluene at temperature of 130 °C. The reaction time is 5 hours. The yield is 75%.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable gloves and eye/face protection.

People can use the following data to convert to the molecule structure. 
1. SMILES:O(c2cccc(Nc1ccccc1)c2)C
2. InChI:InChI=1/C13H13NO/c1-15-13-9-5-8-12(10-13)14-11-6-3-2-4-7-11/h2-10,14H,1H3 
3. InChIKey:MKASXAGBWHIGCF-UHFFFAOYAJ