N,3-Dimethylaniline

Basic Information

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CAS Number

696-44-6

Molecular Formula

C8H11N

Molecular Weight

121.18 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Hydrocarbons

Basic Physical Properties

Melting Point

-10.08°C (estimate)

Boiling Point

207°C

Density

0.957 g/mL at 25 °C

Refractive Index

n20/D 1.5560(lit.)

SMILES

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CC1=CC(=CC=C1)NC

InChI

InChI=1S/C8H11N/c1-7-4-3-5-8(6-7)9-2/h3-6,9H,1-2H3

InChIKey

FBGJJTQNZVNEQU-UHFFFAOYSA-N

LogP

2.03672

Topological Polar Surface Area

12.03 Å²

Hydrogen Bond Donor/Acceptor

1 / 1

Complexity

80.6

Safety Information

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GHS Hazard Pictograms

H301

H311

H331

H373

H412

Hazard Statement

H301 Toxic if swallowed
Acute toxicity, oral

H311 Toxic in contact with skin
Acute toxicity, dermal

H331 Toxic if inhaled
Acute toxicity, inhalation

H373 Causes damage to organs through prolonged or repeated exposure
Specific target organ toxicity, repeated exposure

H412 Harmful to aquatic life with long lasting effects
Hazardous to the aquatic environment, long-term hazard

Hazard Class

Class 6.1(a) Class 6.1(a)

Synonyms & References

English

Aniline,m-dimethyl-
N-Methyl-m-methylaniline
m,N-Dimethylaniline
N-Methyl-m-toluidine
NSC9396
N-methyl-N-(3-methylphenyl)amine
3-(Methylamino)toluene
Benzenamine,3-dimethyl-
N,3-Dimethylaniline
N-METHYL-META-TOLUIDINE
DTXSID2061014
FT-0632830
N,3-Dimethylbenzenamine
CS-W013565
SCHEMBL306337
N-Methyl-3-methylaniline
N-3-Dimethylbenzenamine
EINECS 211-795-0
Q63392765
3,N-dimethyl-aniline
InChI=1/C8H11N/c1-7-4-3-5-8(6-7)9-2/h3-6,9H,1-2H3
Aniline, N,m-dimethyl-
NSC 9396
N,3-Dimethylaniline (N-Methyl-m-toluidine)
N,3-Dimethylaniline-d3
N-Methyl-3-toluidine
m-Toluidine, N-methyl-
PD065612
AKOS000253221
N-methyl-N-m-tolylamine
M0446

MDL Number

MFCD00035787

Customs Code

2921430090

FAQ

What regulatory guidelines apply to N,3-Dimethylaniline (CAS: 696-44-6)?

N,3-Dimethylaniline (CAS: 696-44-6) falls under various regulatory guidelines including the Globally Harmonized System of Classification and Labelling of Chemicals (GHS), which classifies it as a category 3 skin corrosion/irritant. In Europe, it is regulated by REACH, requiring suppliers to provide Safety Data Sheets (SDS) and conduct hazard assessments. The U.S. FDA and EPA have requirements for its handling, storage, and disposal, emphasizing protective measures to prevent skin and eye contact.

Are there alternatives to N,3-Dimethylaniline (CAS: 696-44-6) in synthesis?

There are several alternatives to N,3-Dimethylaniline (CAS: 696-44-6) in synthesis, including 3-Methylaniline and 3-Aminophenol. These alternatives offer similar functionalities but with different reactivity profiles. Other substitutes like aniline derivatives or isomers can also be considered based on the specific requirements of the reaction.

What is the market or research trend for N,3-Dimethylaniline (CAS: 696-44-6)?

The market for N,3-Dimethylaniline (CAS: 696-44-6) is stable but trending towards increased demand in the pharmaceutical and dye industries. Research is focusing on its use in developing new drugs and synthetic routes for advanced organic compounds. Market trends also highlight the need for safer and more sustainable alternatives, driven by stricter environmental regulations and safety standards.

How should waste containing N,3-Dimethylaniline (CAS: 696-44-6) be handled?

Waste containing N,3-Dimethylaniline (CAS: 696-44-6) should be handled with care, following safety protocols to prevent environmental contamination. Waste should be collected in appropriate containers, labeled with the chemical name and CAS number. It should then be disposed of through professional waste disposal services that comply with local regulations. Proper incineration or chemical neutralization methods should be employed to ensure complete destruction and safe disposal, with adherence to environmental protection measures.