2-Chloro-5-pyrimidinamine

Basic Information

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CAS Number

56621-90-0

Molecular Formula

C4H4ClN3

Molecular Weight

129.55 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Amines

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

198-199℃

Boiling Point

338.8°C at 760 mmHg

SMILES

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C1=C(C=NC(=N1)Cl)N

InChI

InChI=1S/C4H4ClN3/c5-4-7-1-3(6)2-8-4/h1-2H,6H2

InChIKey

DZBKIOJXVOECRA-UHFFFAOYSA-N

LogP

0.7122000000000002

Topological Polar Surface Area

51.8 Å²

Hydrogen Bond Donor/Acceptor

2 / 3

Complexity

69.7

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

Synonyms & References

English

5-PYRIMIDINAMINE, 2-CHLORO-
A8105
2-CHLORO-5-AMINOPYRIMIDINE
PB21893
DTXSID60480849
AKOS006280308
EN300-121402
CS-W005338
5-amino-2-chloro pyrimidine
5-Amino-2-chloropyrimidine
AM20100394
AC-4602
PS-4730
5-amino-2-chloropyrimidine, AldrichCPR
SCHEMBL40450
2-Chloro-pyrimidin-5-ylamine
MFCD06412560
56621-90-0
SY013941
BCP23418
DZBKIOJXVOECRA-UHFFFAOYSA-N
Q-102843
2-Chloropyrimidin-5-amine
FT-0640401
5-amine-2-Chloropyrimidine
2-Chloro-5-aminopyrimidine
2-Chloropyrimidin-5-ylamine
PubChem6963
5-Pyrimidinamine,2-chloro-
2-chloropyrimidine-5-ylamine
WT624

MDL Number

MFCD06412560

Customs Code

2933599090

FAQ

What are the physical and chemical properties of 2-Chloro-5-pyrimidinamine (CAS: 56621-90-0)?

2-Chloro-5-pyrimidinamine (CAS: 56621-90-0) is a white crystalline solid with a molecular weight of approximately 137.57 g/mol. It is slightly soluble in water and more soluble in organic solvents like ethanol and acetone. The compound shows moderate reactivity towards nucleophiles, particularly amines, and can undergo substitution reactions. It is stable under normal laboratory conditions but should be protected from strong bases and reducing agents to avoid unwanted side reactions.

How is 2-Chloro-5-pyrimidinamine (CAS: 56621-90-0) typically synthesized?

2-Chloro-5-pyrimidinamine can be synthesized via the reaction of 5-chloropyrimidin-2-amine with a secondary amine under basic conditions. The process involves the use of a catalyst such as sodium hydroxide (NaOH) and is typically carried out in an aqueous solution. The reaction provides good yield and selectivity, making it a reliable method for preparing this compound.

What industries use 2-Chloro-5-pyrimidinamine (CAS: 56621-90-0)?

2-Chloro-5-pyrimidinamine (CAS: 56621-90-0) is primarily used in the pharmaceutical industry due to its chemical structure, which can be further modified to develop new drugs. It is also utilized in the synthesis of certain polymers and in the production of sensors and semiconductors due to its unique electronic properties.

What precautions should be taken when handling 2-Chloro-5-pyrimidinamine (CAS: 56621-90-0)?

When handling 2-Chloro-5-pyrimidinamine (CAS: 56621-90-0), it is important to wear appropriate personal protective equipment (PPE) such as gloves, safety glasses, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood to minimize inhalation risks. Spills should be cleaned up immediately using appropriate absorbent materials and disposing of them according to local regulations. Always consult the Safety Data Sheet (SDS) for detailed handling and safety information.