4,5-Pyrimidinediamine

Basic Information

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CAS Number

13754-19-3

Molecular Formula

C4H6N4

Molecular Weight

110.12 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

Basic Physical Properties

Physical State

Pale-yellow to Yellow-brown Solid

Melting Point

201.0 to 207.0 deg-C

Boiling Point

229°C/32mmHg

Flash Point

175.8°C

Refractive Index

1.7380 (estimate)

SMILES

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

InChI

InChI=1S/C4H6N4/c5-3-1-7-2-8-4(3)6/h1-2H,5H2,(H2,6,7,8)

InChIKey

PPAULTVPKLVLII-UHFFFAOYSA-N

LogP

-0.35899999999999993

Topological Polar Surface Area

77.82 Å²

Hydrogen Bond Donor/Acceptor

4 / 4

Complexity

74.4

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

Synonyms & References

English

D3858
W-205504
Z316094270
1,3-DIHYDRO-ALPHA-HYDROXY-1,3-DIOXO-2H-ISOINDOLE-2-BUTANOICACID
NSC-14348
SCHEMBL24861548
NSC 14348
A18185
NS00024465
AS-19773
AI3-52093
Pyrimidine-4,5-diamine
BCP19378
EN300-110278
Q4637057
4,5-Pyrimidinediamine
4,5-diamino-pyrimidine
4,5-Diaminopyrimidine
AE-842/32231042
4,5-Diaminopyrimidine, purum, >=95.0% (NT)
13754-19-3
Pyrimidine, 4,5-diamino-
CS-W016626
Pyrimidine,5-diamino-
5,6-diaminopyrimidine
SY020178
NSC14348
IL00Z9WFM8
AKOS001444906
4,5 diamino pyrimidine
SCHEMBL311862

MDL Number

MFCD00006113

Customs Code

2933599090

FAQ

What are the physical and chemical properties of 4,5-Pyrimidinediamine (CAS: 13754-19-3)?

4,5-Pyrimidinediamine (CAS: 13754-19-3) is a crystalline solid with a molecular weight of approximately 117.11 g/mol. It has a maximum solubility in water at 25°C of 0.08g/100ml. It is moderately reactive, particularly with acids and bases, and can undergo nitration and sulfonation. The compound is basic in nature and can form complexes with various metal ions.

How is 4,5-Pyrimidinediamine (CAS: 13754-19-3) typically synthesized?

4,5-Pyrimidinediamine can be synthesized via the condensation of 4,5-pyrimidine dicarboxaldehyde and hydrazine. Another method involves the reduction of 4,5-pyridinedicarboxylic acid hydrazide. Commonly, this synthesis requires mild to moderate conditions and can achieve good yields with appropriate choice of solvents and reagents.

What industries use 4,5-Pyrimidinediamine (CAS: 13754-19-3)?

4,5-Pyrimidinediamine is used in the pharmaceutical industry for the synthesis of certain drugs, in the polymer industry for modifying properties of polymers, and in the sensor industry for the development of gas sensors. It also finds applications in the semiconductor industry as a dopant and in the production of certain dyes.

What precautions should be taken when handling 4,5-Pyrimidinediamine (CAS: 13754-19-3)?

When handling 4,5-Pyrimidinediamine (CAS: 13754-19-3), it is essential to wear appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. Work should be conducted in a fume hood to minimize inhalation. Spills should be cleaned up using absorbent materials and disposed of according to local regulations. Always consult the Safety Data Sheet (SDS) for detailed handling instructions.