3-amino-5-methoxy-benzonitrile

Basic Information

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CAS Number

269411-71-4

Molecular Formula

C8H8N2O

Molecular Weight

137.18 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Amines

Basic Chemical Raw Materials Organic Chemicals Nitriles

Basic Physical Properties

SMILES

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COC1=CC(=CC(=C1)N)C#N

InChI

InChI=1S/C8H8N2O/c1-11-8-3-6(5-9)2-7(10)4-8/h2-4H,10H2,1H3

InChIKey

FFTOQOKMASMDFH-UHFFFAOYSA-N

LogP

1.58582

Topological Polar Surface Area

35.25 Å²

Hydrogen Bond Donor/Acceptor

2 / 2

Complexity

172

Synonyms & References

English

269411-71-4
Benzonitrile,3-amino-5-methoxy-
AMY18944
MFCD18389726
CS-0139559
DTXSID00444602
SCHEMBL3344571
DS-4124
SY117451
Benzonitrile, 3-amino-5-methoxy-
FFTOQOKMASMDFH-UHFFFAOYSA-N
AKOS006337279
3-Amino-5-methoxybenzonitrile
SB75441
Benzonitrile, 3-amino-5-methoxy- (9CI)
3-amino-5-methoxy-benzonitrile
AK103503
FCH936751
2469AB
AX8235042
AB0072558

MDL Number

MFCD18389726

FAQ

What regulatory guidelines apply to 3-amino-5-methoxy-benzonitrile (CAS: 269411-71-4)?

3-Amino-5-methoxy-benzonitrile (CAS: 269411-71-4) falls under various regulatory guidelines such as GHS for classification and labeling, REACH for registration, evaluation, authorization, and restriction of chemicals. Additionally, FDA and EPA regulations may apply based on its intended use in pharmaceuticals or consumer products. Proper storage and disposal should comply with these guidelines to ensure safety and compliance.

Are there alternatives to 3-amino-5-methoxy-benzonitrile (CAS: 269411-71-4) in synthesis?

Yes, alternatives to 3-amino-5-methoxy-benzonitrile (CAS: 269411-71-4) include similar aromatic compounds like 4-amino-3-methoxybenzonitrile or 2-amino-6-methoxybenzonitrile. Other reagents such as nitrile analogs or amino derivatives can also serve as viable alternatives, depending on the desired properties and synthesis conditions.

What is the market or research trend for 3-amino-5-methoxy-benzonitrile (CAS: 269411-71-4)?

The market for 3-amino-5-methoxy-benzonitrile (CAS: 269411-71-4) is growing due to its applications in pharmaceuticals, dyes, and organic synthesis. Research trends focus on its potential as a precursor for valuable chemicals and its role in developing more sustainable manufacturing processes. Market demand is also influenced by ongoing pharmaceutical and fine chemical research, leading to increased exploration of its properties and applications.

How should waste containing 3-amino-5-methoxy-benzonitrile (CAS: 269411-71-4) be handled?

Waste containing 3-amino-5-methoxy-benzonitrile (CAS: 269411-71-4) should be collected in appropriate containers and handled according to GHS guidelines for hazardous waste. It should be disposed of through professional waste disposal services to ensure environmental safety. Incineration or chemical treatment methods may be employed, depending on the local regulations and the specific waste characteristics. Always follow local and national environmental protection laws and guidelines to prevent harmful impacts on the environment.