(4,6-Dichloro-5-pyrimidinyl)acetaldehyde

Basic Information

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CAS Number

16019-33-3

Molecular Formula

C6H4Cl2N2O

Molecular Weight

191.02 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

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Physical State

Pale-yellow to Yellow-brown Solid

Boiling Point

312.7℃ at 760 mmHg

Density

1.47

Flash Point

312.7 °C at 760 mmHg

Refractive Index

1.559

SMILES

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C1=NC(=C(C(=N1)Cl)CC=O)Cl

InChI

InChI=1S/C6H4Cl2N2O/c7-5-4(1-2-11)6(8)10-3-9-5/h2-3H,1H2

InChIKey

QEBITPOSBYZLCY-UHFFFAOYSA-N

LogP

1.5248

Topological Polar Surface Area

42.85 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

135

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

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

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

BCP05377
EE-0022
(4,6-dichloro-pyrimidin-5-yl)acetaldehyde
5-ACETALDEHYDEYL-4,6-DICHLOROPYRIMIDINE
4,6-Dichloropyrimidine-5-acetaldehyde
J-505882
2-(4 pound not6-Dichloropyrimidin-5-yl)acetaldehyde
AC-9086
MFCD09991563
5-Acetaldehyde-4,6-dichloropyrimidine
2-(4,6-Dichloro-5-pyrimidyl)acetaldehyde
QEBITPOSBYZLCY-UHFFFAOYSA-N
AM20080430
16019-33-3
SB18009
A810121
4,6-Dichloro-5-pyrimidineacetaldehyde
2-(4,6-dichloropyrimidine-5-yl)acetaldehyde
2-(4,6-DICHLOROPYRIMIDIN-5-YL)ACETALDEHYDE
EN300-85754
2-(4,6-dichloro-5-pyrimidinyl)acetaldehyde
5-Pyrimidineacetaldehyde, 4,6-dichloro-
AKOS006312282
(4,6-dichloropyrimidin-5-yl)acetaldehyde
CS-M2478
(4,6-Dichloro-pyrimidin-5-yl)-acetaldehyde
DTXSID80553867
FT-0630265
SCHEMBL782788
SY022588
2-(4,6-Dichloropyrimidin-5-yl)acetaldehyde

MDL Number

MFCD09991563

FAQ

What are the physical and chemical properties of (4,6-Dichloro-5-pyrimidinyl)acetaldehyde (CAS: 16019-33-3)?

(4,6-Dichloro-5-pyrimidinyl)acetaldehyde is a white crystalline solid with a molecular weight of approximately 232.03 g/mol. It has a slight solubility in water and is more soluble in organic solvents like ethanol and acetonitrile. Chemically, it is moderately reactive, particularly towards nucleophiles and reducing agents.

How is (4,6-Dichloro-5-pyrimidinyl)acetaldehyde (CAS: 16019-33-3) typically synthesized?

(4,6-Dichloro-5-pyrimidinyl)acetaldehyde can be synthesized by the alkylation of 5-chloropyrimidine with acetaldehyde in the presence of a base like potassium hydroxide. The reaction is carried out in an aprotic solvent like acetonitrile at room temperature. The yield is typically around 75% with good selectivity.

What industries use (4,6-Dichloro-5-pyrimidinyl)acetaldehyde (CAS: 16019-33-3)?

(4,6-Dichloro-5-pyrimidinyl)acetaldehyde is primarily used in the pharmaceutical industry as an intermediate in the synthesis of various pyrimidine-based drugs. It also finds applications in the polymer industry for the development of novel materials and in sensor technology for detecting specific chemical species.

What precautions should be taken when handling (4,6-Dichloro-5-pyrimidinyl)acetaldehyde (CAS: 16019-33-3)?

When handling (4,6-Dichloro-5-pyrimidinyl)acetaldehyde, use appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work in a well-ventilated area or a fume hood to minimize exposure to vapors. Spills should be cleaned up using appropriate absorbents and disposed of according to local regulations. Always consult the Safety Data Sheet (SDS) for detailed safety information.