2-Methyl-4-nitrobenzonitrile

Basic Information

View in Editor

CAS Number

89001-53-6

Molecular Formula

C8H6N2O2

Molecular Weight

162.15 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Nitriles

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Melting Point

98.0 to 102.0 deg-C

Boiling Point

329.603°C at 760 mmHg

Density

1.264

Flash Point

153.139°C

Refractive Index

1.568

SMILES

View in Editor

CC1=C(C=CC(=C1)[N+](=O)[O-])C#N

InChI

InChI=1S/C8H6N2O2/c1-6-4-8(10(11)12)3-2-7(6)5-9/h2-4H,1H3

InChIKey

RNTFKDBRMXYEPR-UHFFFAOYSA-N

LogP

2.29808

Complexity

225

Safety Information

View Safety Information

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

2-Methyl-4-nitrobenzonitrile
2-methyl-4-nitro-benzonitrile
Benzonitrile,2-methyl-4-nitro-
2-cyano-5-nitrotoluene
2-methyl-4-nitrobenzenecarbonitrile
4-Cyano-3-methylnitrobenzene
4-Nitro-o-tolunitrile
Benzonitrile, 2-methyl-4-nitro-
PubChem10152
RNTFKDBRMXYEPR-UHFFFAOYSA-N
4695AC
CL8892
SBB055090
TRA0051725
AS06868
EN002731
SC-0
2-methyl-4-nitrobenzonitrile
2-Methyl-4-nitrobenzonitrile (ACI)
o-Tolunitrile, 4-nitro- (6CI)
2-Cyano-5-nitrotoluene
Z1212719947
DB-078282
CS-W016119
DTXSID60402182
M2965
MFCD03095378
AKOS015889429
CHEMBL2022893
AC-26100
AS-10271

MDL Number

MFCD03095378

Customs Code

2926909090

FAQ

What regulatory guidelines apply to 2-Methyl-4-nitrobenzonitrile (CAS: 89001-53-6)?

2-Methyl-4-nitrobenzonitrile (CAS: 89001-53-6) falls under the Hazard Communication Standard (HCS) as classified by the Globally Harmonized System of Classification and Labelling of Chemicals (GHS). It is regulated by REACH in the EU, requiring registration and reporting under its criteria. FDA and EPA have specific requirements for its handling and disposal, especially considering its hazardous properties.

Are there alternatives to 2-Methyl-4-nitrobenzonitrile (CAS: 89001-53-6) in synthesis?

While 2-Methyl-4-nitrobenzonitrile (CAS: 89001-53-6) is a specific compound, alternatives include other nitriles and anilines, such as 4-Nitrobenzonitrile and 2-Methyl-4-nitroaniline. These can be used as substitutes in various synthetic pathways, depending on the desired properties and reactivity.

What is the market or research trend for 2-Methyl-4-nitrobenzonitrile (CAS: 89001-53-6)?

The market for 2-Methyl-4-nitrobenzonitrile (CAS: 89001-53-6) is driven by its use in pharmaceutical and agrochemical industries. Research trends focus on exploring its potential in new applications, such as in the development of novel drugs and pesticides. However, due to its hazardous nature, there is increasing emphasis on safer alternatives and sustainable synthesis methods.

How should waste containing 2-Methyl-4-nitrobenzonitrile (CAS: 89001-53-6) be handled?

Waste containing 2-Methyl-4-nitrobenzonitrile (CAS: 89001-53-6) should be collected in appropriate containers and handled according to local regulations. Incineration is a common disposal method, but professional waste disposal services are recommended. Environmental protection measures include ensuring no spillage and thorough cleaning of work areas.