4,5-Dimethoxy-2-nitrobenzonitrile

Basic Information

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CAS Number

102714-71-6

Molecular Formula

C9H8N2O4

Molecular Weight

208.17 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Nitriles

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Melting Point

165.0 to 170.0 deg-C

SMILES

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COC1=C(C=C(C(=C1)C#N)[N+](=O)[O-])OC

InChI

InChI=1S/C9H8N2O4/c1-14-8-3-6(5-10)7(11(12)13)4-9(8)15-2/h3-4H,1-2H3

InChIKey

NQSQQGDTYKGCOT-UHFFFAOYSA-N

LogP

2.00688

Complexity

280

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H312 Harmful in contact with skin
Acute toxicity, dermal

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H332 Harmful if inhaled
Acute toxicity, inhalation

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

Hazard Class

Class IRRITANT Class IRRITANT

Class IRRITANT-HARMFUL Class IRRITANT-HARMFUL

Synonyms & References

English

4,5-dimethoxy-2-nitro benzonitrile
1-Cyano-4,5-dimethoxy-2-nitrobenzene
Benzonitrile, 4,5-dimethoxy-2-nitro-
CS-0373309
A800606
InChI=1/C9H8N2O4/c1-14-8-3-6(5-10)7(11(12)13)4-9(8)15-2/h3-4H,1-2H
6-Nitroveratronitrile
J-000773
AKOS000271460
Benzonitrile,4,5-dimethoxy-2-nitro-
DTXSID70363674
102714-71-6
FS-3933
4,5-Dimethoxy-2-nitrobenzonitrile, 98%
2-nitro-4,5-dimethoxybenzonitrile
NQSQQGDTYKGCOT-UHFFFAOYSA-N
SCHEMBL2773208
MFCD00017564
4,5-Dimethoxy-2-nitro-benzonitrile
4,5-Dimethoxy-2-nitrobenzonitrile, 99%
D2984
4,5-Dimethoxy-2-nitrobenzonitrile
AC-9277
FT-0642496
Dimethoxy-2-nitrobenzonitrile
2-Nitro-4,5-dimethoxybenzonitrile
1-Cyano-4,5-dimethoxy-2-nitrobenzene 6-Nitroveratronitrile
AKOS BBS-00002618
4,5-Dimethoxy-2-nitrobenzonitrile98%
4,5-Dimethoxy-2-nitrobenzonitrile 98%
4,5-dimethoxy-2-nitrobenzenecarbonitrile

MDL Number

MFCD00017564

Customs Code

2926909090

FAQ

What regulatory guidelines apply to 4,5-Dimethoxy-2-nitrobenzonitrile (CAS: 102714-71-6)?

4,5-Dimethoxy-2-nitrobenzonitrile (CAS: 102714-71-6) must comply with regulatory guidelines such as GHS (Globally Harmonized System of Classification and Labeling of Chemicals) for hazardous chemicals. In the European Union, it falls under REACH regulations. For use in the United States, FDA and EPA have specific requirements for handling and disposal. Ensure all handling and storage comply with local and national regulations.

Are there alternatives to 4,5-Dimethoxy-2-nitrobenzonitrile (CAS: 102714-71-6) in synthesis?

There are several alternatives to 4,5-Dimethoxy-2-nitrobenzonitrile (CAS: 102714-71-6) that can be used in synthesis, including 4-nitro-2,5-dimethoxybenzonitrile and other substituted benzonitriles. These alternatives can offer similar functional groups and reactivity patterns, making them suitable for various synthesis routes.

What is the market or research trend for 4,5-Dimethoxy-2-nitrobenzonitrile (CAS: 102714-71-6)?

The market for 4,5-Dimethoxy-2-nitrobenzonitrile (CAS: 102714-71-6) is growing due to its applications in pharmaceuticals and organic synthesis. Research trends are focusing on its use in medicinal chemistry and material science. Demand is expected to increase as new applications are discovered, particularly in the development of novel drugs and advanced materials.

How should waste containing 4,5-Dimethoxy-2-nitrobenzonitrile (CAS: 102714-71-6) be handled?

Waste containing 4,5-Dimethoxy-2-nitrobenzonitrile (CAS: 102714-71-6) should be collected in a suitable sealed container and stored in a safe, secure location away from ignition sources. Disposal should be carried out through a licensed waste handler or incineration facility that adheres to local environmental regulations. Always follow safety precautions and consult the Material Safety Data Sheet (MSDS) for more detailed guidance.