3,5-Dimethoxybenzonitrile

Basic Information

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CAS Number

19179-31-8

Molecular Formula

C9H9NO2

Molecular Weight

163.17 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Nitriles

Basic Physical Properties

Melting Point

87-89 °C

Boiling Point

261.4℃ at 760 mmHg

Flash Point

104.9 °C

Refractive Index

1.5300 (estimate)

SMILES

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COC1=CC(=CC(=C1)C#N)OC

InChI

InChI=1S/C9H9NO2/c1-11-8-3-7(6-10)4-9(5-8)12-2/h3-5H,1-2H3

InChIKey

NVTHWSJNXVDIKR-UHFFFAOYSA-N

LogP

1.57548

Complexity

172

Safety Information

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GHS Hazard Pictograms

H302

H312

H315

H319

H332

H335

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 6.1 Class 6.1

Synonyms & References

English

CS-W001927
NSC73710
SCHEMBL202404
FT-0614641
AC-16561
AM813
Z57899965
InChI=1/C9H9NO2/c1-11-8-3-7(6-10)4-9(5-8)12-2/h3-5H,1-2H
NSC 73710
3,5-Dimethoxy benzonitrile
BENZONITRILE, 3,5-DIMETHOXY-
EINECS 242-858-0
AKOS008969358
MFCD00001804
3-10-00-01449 (Beilstein Handbook Reference)
3,5-Dimethoxybenzonitrile
DTXSID40172710
BCP11277
3,5-dimethoxybenzo nitrile
FS-3228
A813519
F0001-0691
BRN 0776115
8OJ1LY7B4L
3,5-Dimethoxybenzonitrile, 99%
19179-31-8
NSC-73710
1-(Cyanomethyl)-3,5-dimethoxybenzene
UNII-8OJ1LY7B4L
Benzonitrile,5-dimethoxy-
EN300-176374

MDL Number

MFCD00001804

Customs Code

29269090

FAQ

What are the physical and chemical properties of 3,5-Dimethoxybenzonitrile (CAS: 19179-31-8)?

3,5-Dimethoxybenzonitrile (CAS: 19179-31-8) is a colorless to light yellow liquid with a density of approximately 1.11 g/cm³. Its molecular weight is 166.16 g/mol. It has moderate solubility in water but is highly soluble in organic solvents like ethanol and acetone. Chemically, it is moderately reactive and can undergo substitution reactions. Commonly, it is used in organic synthesis and as a starting material for making other compounds.

How is 3,5-Dimethoxybenzonitrile (CAS: 19179-31-8) typically synthesized?

3,5-Dimethoxybenzonitrile can be synthesized via the nitrile addition to 3,5-dimethoxybenzene using a nitrating agent like phosphorus pentoxide or diphosphorus pentaoxide. The reaction is typically carried out in an inert atmosphere to prevent oxidation. The yield and selectivity are good, and the method is commonly used in laboratory settings for its simplicity and efficiency.

What industries use 3,5-Dimethoxybenzonitrile (CAS: 19179-31-8)?

3,5-Dimethoxybenzonitrile is primarily used in the pharmaceutical industry as an intermediate for drug synthesis. It also finds applications in the production of materials for polymer and sensor industries. Additionally, it is used in the synthesis of dyes and other organic compounds. Its properties make it valuable in these sectors for its reactivity and solubility characteristics.

What precautions should be taken when handling 3,5-Dimethoxybenzonitrile (CAS: 19179-31-8)?

When handling 3,5-Dimethoxybenzonitrile (CAS: 19179-31-8), appropriate personal protective equipment (PPE) should be worn, including gloves, safety goggles, and a lab coat. Fume hoods should be used during operations to minimize inhalation exposure. Spills should be cleaned up using absorbent materials, and proper disposal methods should be followed. Always refer to the Safety Data Sheet (SDS) for detailed handling and storage instructions.