3-Methylquinoline

Basic Information

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CAS Number

612-58-8

Molecular Formula

C10H9N

Molecular Weight

143.19 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

Physical State

Liquid

Melting Point

16-17 °C

Boiling Point

255°C

Density

1.069 g/mL at 25 °C

Refractive Index

n20/D 1.615(lit.)

SMILES

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CC1=CC2=CC=CC=C2N=C1

InChI

InChI=1S/C10H9N/c1-8-6-9-4-2-3-5-10(9)11-7-8/h2-7H,1H3

InChIKey

DTBDAFLSBDGPEA-UHFFFAOYSA-N

LogP

2.5432200000000007

Topological Polar Surface Area

12.89 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

133

Safety Information

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GHS Hazard Pictograms

H312

H315

H318

H332

H335

H351

Hazard Statement

H312 Harmful in contact with skin
Acute toxicity, dermal

H315 Causes skin irritation
Skin corrosion/irritation

H318 Causes serious eye damage
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

H351 Suspected of causing cancer
Carcinogenicity

Synonyms & References

English

METHYLQUINOLINE, 3-
EINECS 210-315-7
Quinoline, 3-methyl-
CCRIS 2896
Z1217215047
3-methyl quinoline
BDBM50159256
c0070
NSC 109149
DS-15139
NS00034623
AKOS002337541
3-METHYLQUINOLINE
beta-Methylquinoline
SCHEMBL2938
SY048469
5-20-07-00388 (Beilstein Handbook Reference)
CHEMBL195661
M0782
MFCD00014661
CHEBI:20140
UNII-1YC9RBW2G0
1YC9RBW2G0
InChI=1/C10H9N/c1-8-6-9-4-2-3-5-10(9)11-7-8/h2-7H,1H
BRN 0110325
Q27109284
3-Methyl-1-benzazine
612-58-8
CS-W016413
NSC-109149
AM1098

MDL Number

MFCD00014661

Customs Code

2933499090

FAQ

What are the physical and chemical properties of 3-Methylquinoline (CAS: 612-58-8)?

3-Methylquinoline (CAS: 612-58-8) is a crystalline solid with a molecular weight of approximately 123.17 g/mol. It has a dark brown to black color and a pungent, bitter almond odor. The compound is slightly soluble in water but more soluble in organic solvents such as ethanol and acetone. It shows basic properties and is known to undergo nucleophilic substitution and condensation reactions under certain conditions.

How is 3-Methylquinoline (CAS: 612-58-8) typically synthesized?

3-Methylquinoline is typically synthesized through the reduction of 3-methylquinone using a reducing agent such as sodium borohydride, or by the condensation of methylamine with 1,2-diformylbenzene. The reaction is carried out in an acidic medium, and yield can be improved by using appropriate catalysts and optimizing reaction conditions.

What industries use 3-Methylquinoline (CAS: 612-58-8)?

3-Methylquinoline (CAS: 612-58-8) finds applications in various industries. It is used in the pharmaceutical industry as a precursor for synthesizing certain drugs. In the polymer industry, it serves as a starting material for the production of polyquinolines. Additionally, it is utilized in the production of sensors and semiconductors due to its electronic properties.

What precautions should be taken when handling 3-Methylquinoline (CAS: 612-58-8)?

When handling 3-Methylquinoline (CAS: 612-58-8), it is essential to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. It should be stored in a closed container in a cool, dry place away from direct sunlight and sources of ignition. Spills should be cleaned up using appropriate safety equipment, and the material safety data sheet (MSDS) should be consulted for detailed emergency procedures and handling instructions.