2-(5-Pyrimidinyl)benzaldehyde

Basic Information

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CAS Number

640769-71-7

Molecular Formula

C11H8N2O

Molecular Weight

184.2 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Aldehydes

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Physical State

White to Yellow Solid

SMILES

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C1=CC=C(C(=C1)C=O)C2=CN=CN=C2

InChI

InChI=1S/C11H8N2O/c14-7-9-3-1-2-4-11(9)10-5-12-8-13-6-10/h1-8H

InChIKey

JPSJBEALHNYNBL-UHFFFAOYSA-N

LogP

1.9560999999999995

Topological Polar Surface Area

42.85 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

190

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H318 Causes serious eye damage
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

AKOS004117397
AR1226
2-(pyrimidin-5-yl)benzaldehyde
Benzaldehyde, 2-(5-pyrimidinyl)-
2-Pyrimidin-5-ylbenzaldehyde
SCHEMBL612568
A834635
FT-0602380
2-(5-Pyrimidinyl)benzaldehyde
640769-71-7
2-(5-Pyrimidinyl)benzaldehyde, AldrichCPR
DTXSID20396710
DS-10178
MFCD02684096
BB 0222977
CHEMBL4460321
3-methyl-4-chlorophenylisocyanate
CS-W021461
JPSJBEALHNYNBL-UHFFFAOYSA-N
2-Pyrimidin-5-yl-benzaldehyde
SB57466
Benzaldehyde,2-(5-pyrimidinyl)-
EN300-745569
2-(Pyrimidin-5-yl)benzaldehyde
2-pyrimidin-5-ylbenzaldehyde
PubChem4083
SBB067488
VZ23234
BC676072
HC210208
2-(5-Pyrimidinyl)benzaldehyde,

MDL Number

MFCD02684096

FAQ

What regulatory guidelines apply to 2-(5-Pyrimidinyl)benzaldehyde (CAS: 640769-71-7)?

2-(5-Pyrimidinyl)benzaldehyde (CAS: 640769-71-7) falls under the scope of GHS (Globally Harmonized System of Classification and Labeling of Chemicals) for classification as a hazardous substance. It must comply with REACH regulations, particularly for import and sale within the EU. FDA and EPA may also require registration and adherence to specific guidelines for its use in the United States.

Are there alternatives to 2-(5-Pyrimidinyl)benzaldehyde (CAS: 640769-71-7) in synthesis?

Several alternatives exist for synthesizing related compounds, such as benzaldehydes with different substituents. Common isomers and analogs include 2-(4-pyrimidinyl)benzaldehyde and 2-(6-pyrimidinyl)benzaldehyde. Other reagents like aldehydes or ketones can be used as substitutes depending on the specific reaction requirements.

What is the market or research trend for 2-(5-Pyrimidinyl)benzaldehyde (CAS: 640769-71-7)?

The market for 2-(5-Pyrimidinyl)benzaldehyde (CAS: 640769-71-7) is growing due to its use in pharmaceuticals and agrochemicals. Research trends focus on developing new synthetic methods and exploring its applications in medicinal chemistry and crop protection. Its price trend is stable, with increasing demand driving slight price increases.

How should waste containing 2-(5-Pyrimidinyl)benzaldehyde (CAS: 640769-71-7) be handled?

Waste containing 2-(5-Pyrimidinyl)benzaldehyde (CAS: 640769-71-7) should be collected in appropriate containers and labeled as hazardous. Incineration at a professional facility is recommended for disposal. Environmental protection measures include proper containment to prevent leaks and spills, and adherence to local waste management regulations.