4-Formyl-3-methoxybenzonitrile

Basic Information

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CAS Number

21962-45-8

Molecular Formula

C9H7NO2

Molecular Weight

161.16 g/mol

Basic Physical Properties

Melting Point

109-111 ºC

Boiling Point

318.2°C at 760 mmHg

Flash Point

138 ºC

SMILES

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

InChI

InChI=1S/C9H7NO2/c1-12-9-4-7(5-10)2-3-8(9)6-11/h2-4,6H,1H3

InChIKey

ZXENVSJZOHXCKL-UHFFFAOYSA-N

LogP

1.37938

Complexity

206

Safety Information

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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

AS-18816
AKOS006228725
A4705
CL8346
SY038704
EN300-6414075
FT-0638169
AM20030364
21962-45-8
4-formyl-3-methoxybenzonitrile
4-cyano-2-methoxybenzaldehyde, AldrichCPR
NS00005013
MFCD07779491
4-formyl-3-methoxy-benzonitrile
EC 804-777-4
DTXSID20586553
4-CYANO-2-METHOXYBENZALDEHYDE
2-methoxy-4-cyanobenzaldehyde
ZXENVSJZOHXCKL-UHFFFAOYSA-N
SCHEMBL1398327
4-Cyaon-2-methoxybenzaldehyde
CS-W018926
Z1198174338
4-Formyl-3-methoxybenzonitrile
2-METHOXY-4-CYANOBENZALDEHYDE
4-Cyano-2-methoxybenzaldehyde
Benzonitrile,4-formyl-3-methoxy-
PHARMABRIDGE P-1845
PubChem17019
KSC495E8H
FCH833021

MDL Number

MFCD07779491

Customs Code

2926909090

FAQ

What are the physical and chemical properties of 4-Formyl-3-methoxybenzonitrile (CAS: 21962-45-8)?

4-Formyl-3-methoxybenzonitrile (CAS: 21962-45-8) is a white crystalline solid with a molecular weight of approximately 195.16 g/mol. It has a solubility of about 10 g/L in water and is slightly soluble in common organic solvents like ethanol and acetone. The compound shows moderate reactivity, particularly towards nucleophiles and reducing agents.

How is 4-Formyl-3-methoxybenzonitrile (CAS: 21962-45-8) typically synthesized?

4-Formyl-3-methoxybenzonitrile (CAS: 21962-45-8) can be synthesized through a series of mild reactions, starting from 3-methoxybenzonitrile. Typical synthesis involves the formylation of the hydroxyl group using a formylating agent like formic acid, followed by purification. The reaction is typically performed under mild conditions and may require the use of a catalyst to improve yield and selectivity.

What industries use 4-Formyl-3-methoxybenzonitrile (CAS: 21962-45-8)?

4-Formyl-3-methoxybenzonitrile (CAS: 21962-45-8) is used in various industries including pharmaceuticals, where it serves as an intermediate for the synthesis of certain drugs. It also finds applications in the synthesis of materials for sensors and semiconductors, although its use in these fields is more limited compared to pharmaceutical applications.

What precautions should be taken when handling 4-Formyl-3-methoxybenzonitrile (CAS: 21962-45-8)?

When handling 4-Formyl-3-methoxybenzonitrile (CAS: 21962-45-8), it is important to use appropriate personal protective equipment (PPE) such as gloves and goggles. Work should be conducted in a well-ventilated area or fume hood to minimize inhalation risks. Spills should be immediately cleaned up with appropriate absorbent materials, and the area should be thoroughly cleaned using water and detergent. Always refer to the Safety Data Sheet (SDS) for detailed handling and disposal instructions.