1-(3-Methylphenyl)methanamine

Basic Information

View in Editor

CAS Number

100-81-2

Molecular Formula

C8H11N

Molecular Weight

121.18 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Amines

Basic Physical Properties

Melting Point

19.71°C (estimate)

Boiling Point

202-205 °C

Refractive Index

n20/D 1.536(lit.)

SMILES

View in Editor

CC1=CC(=CC=C1)CN

InChI

InChI=1S/C8H11N/c1-7-3-2-4-8(5-7)6-9/h2-5H,6,9H2,1H3

InChIKey

RGXUCUWVGKLACF-UHFFFAOYSA-N

LogP

1.4537200000000001

Topological Polar Surface Area

26.02 Å²

Hydrogen Bond Donor/Acceptor

2 / 1

Complexity

80.6

Safety Information

View Safety Information

GHS Hazard Pictograms

H314

Hazard Statement

H314 Causes severe skin burns and eye damage
Skin corrosion/irritation

Hazard Class

Class 8 Class 8

Sensitiveness

Air Sensitive

Synonyms & References

English

CHEMBL274573
3-Methylbenzylamine
3-Methylbenzylamine, 98%
3-tolylmethylamine
SY004247
(3-Methylphenyl)methanamine
J-512890
NS00023003
CK2411
3-Methylbenzyl amine
Q27467960
CS-W004682
BB 0253725
DTXSID3059218
EINECS 202-890-8
STR04724
m-Tolylmethanamine
AKOS000130458
MFCD00008118
m-Xylylamine
InChI=1/C8H11N/c1-7-3-2-4-8(5-7)6-9/h2-5H,6,9H2,1H
AC-17021
3-methyl-benzylamin
EN300-29981
3-Methylbenzenemethanamine
[(3-Methylphenyl)methyl]amine
M1274
m-Methylbenzylamine
1-(3-methylphenyl)methanamine
3-Methyl-benzylamine
Benzenemethanamine, 3-methyl-

MDL Number

MFCD00008118

Customs Code

2921499090

FAQ

What are the physical and chemical properties of 1-(3-Methylphenyl)methanamine (CAS: 100-81-2)?

1-(3-Methylphenyl)methanamine (CAS: 100-81-2) is a colorless liquid with a molecular weight of 128.19 g/mol. It has a pKa of approximately 12.5 and is moderately soluble in water but highly soluble in organic solvents. This compound is known for its reactivity, particularly towards nucleophilic substitution and electrophilic aromatic substitution reactions.

How is 1-(3-Methylphenyl)methanamine (CAS: 100-81-2) typically synthesized?

1-(3-Methylphenyl)methanamine can be synthesized through amination of 3-methylbenzaldehyde with methylamine. Common methods include the use of sodium methylate as a catalyst in a solvent such as dimethylformamide (DMF). The reaction is typically carried out at room temperature and yields a high purity product with good selectivity and yield.

What industries use 1-(3-Methylphenyl)methanamine (CAS: 100-81-2)?

1-(3-Methylphenyl)methanamine is widely used in the pharmaceutical industry for the synthesis of various drug intermediates. It also finds applications in the polymer industry for the development of polyurethane precursors, and in the semiconductor industry as a dopant for organic electronics. Additionally, it is used in the production of chemical sensors and as a starting material for other organic compounds.

What precautions should be taken when handling 1-(3-Methylphenyl)methanamine (CAS: 100-81-2)?

When handling 1-(3-Methylphenyl)methanamine (CAS: 100-81-2), it is crucial to use personal protective equipment (PPE) such as gloves, goggles, and lab coats. This compound is corrosive and can cause skin and eye irritation. It should be handled in a well-ventilated area or a fume hood. In case of a spill, neutralize it with an appropriate neutralizing agent and dispose of it according to local regulations. Always consult the safety data sheet (SDS) for detailed handling and emergency procedures.