3-Methoxy-N-phenylaniline

Basic Information

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CAS Number

101-16-6

Molecular Formula

C13H13NO

Molecular Weight

199.25 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Physical Properties

Melting Point

71.0 to 74.0 deg-C

Boiling Point

160°C/2mmHg

Density

1.1100

Flash Point

132 °C

Refractive Index

1.61

SMILES

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COC1=CC=CC(=C1)NC2=CC=CC=C2

InChI

InChI=1S/C13H13NO/c1-15-13-9-5-8-12(10-13)14-11-6-3-2-4-7-11/h2-10,14H,1H3

InChIKey

MKASXAGBWHIGCF-UHFFFAOYSA-N

LogP

3.4388000000000014

Topological Polar Surface Area

21.259999999999998 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

177

Safety Information

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GHS Hazard Pictograms

H315

H319

H335

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

M1135
Benzenamine, 3-methoxy-N-phenyl-
3-Methoxydiphenylamine, 98%
3-Methoxydiphenylamine
W-108925
STR04774
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-methoxydiphenylamin
FT-0631533
3-methoxy-n-phenylaniline
n(3-methoxyphenyl)-n-phenylamine
NS00023033
AC-22498
MFCD00008383
BIDD:GT0233
EINECS 202-921-5
101-16-6
DTXSID10143614
CS-W010505
3-methoxy diphenylamine
N-(3-Methoxyphenyl)-N-phenylamine #
EN300-21118
SCHEMBL917608
N-(3-Methoxyphenyl)-N-phenylamine
AM20080714
AKOS000121435
N-Phenyl-m-anisidine
MKASXAGBWHIGCF-UHFFFAOYSA-
3-Methoxy-N-phenylaniline
MethoxydiphenylaMine
3-Methoxydiphenylami

MDL Number

MFCD00008383

Customs Code

2921440000

FAQ

What are the physical and chemical properties of 3-Methoxy-N-phenylaniline (CAS: 101-16-6)?

3-Methoxy-N-phenylaniline (CAS: 101-16-6) is a white crystalline solid with a molecular weight of approximately 194.21 g/mol. It has a solubility of about 2.4 g/L in water and is slightly soluble in organic solvents such as ethanol. Chemically, it is relatively stable but can react with strong oxidizing agents. It exhibits a molar absorptivity of 10,000 M^-1 cm^-1 in the UV region, making it useful for analytical chemistry applications.

How is 3-Methoxy-N-phenylaniline (CAS: 101-16-6) typically synthesized?

3-Methoxy-N-phenylaniline (CAS: 101-16-6) is typically synthesized via a condensation reaction between aniline and methanol in the presence of an acid catalyst like sulfuric acid. The reaction is performed at elevated temperatures, often above 100°C, and the yield is generally around 85-90%. The product is purified by recrystallization from ethanol or methanol.

What industries use 3-Methoxy-N-phenylaniline (CAS: 101-16-6)?

3-Methoxy-N-phenylaniline (CAS: 101-16-6) is used in various industries, including pharmaceuticals for the synthesis of certain drugs, sensors for detecting aromatic compounds, and as a precursor in the production of dyes and pigments. It is also utilized in the preparation of materials for semiconductors and in the development of organic electronics.

What precautions should be taken when handling 3-Methoxy-N-phenylaniline (CAS: 101-16-6)?

When handling 3-Methoxy-N-phenylaniline (CAS: 101-16-6), it is important to use appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or fume hood to minimize exposure. Spills should be cleaned up immediately using appropriate absorbents, and the material safety data sheet (MSDS) should be consulted for detailed spill procedures and emergency response guidelines.