4,6-Dichloro-2-pyrimidinamine

Basic Information

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CAS Number

56-05-3

Molecular Formula

C4H3Cl2N3

Molecular Weight

164 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

Physical State

Pale-yellow to Yellow-brown Solid

Melting Point

222.0 to 226.0 deg-C

Boiling Point

348.5°C at 760 mmHg

Water Solubility

Insoluble in water, soluble in acetone, two monomer (VCM) and thermal toluene.

Flash Point

164.6℃

Refractive Index

1.6300 (estimate)

SMILES

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C1=C(N=C(N=C1Cl)N)Cl

InChI

InChI=1S/C4H3Cl2N3/c5-2-1-3(6)9-4(7)8-2/h1H,(H2,7,8,9)

InChIKey

JPZOAVGMSDSWSW-UHFFFAOYSA-N

LogP

1.3656

Topological Polar Surface Area

51.8 Å²

Hydrogen Bond Donor/Acceptor

2 / 3

Complexity

89.8

Safety Information

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GHS Hazard Pictograms

H315

H319

H335

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

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

5-25-10-00087 (Beilstein Handbook Reference)
A18392
NSC-18698
4,6-Dichloropyrimidin-2-ylamine
4,6-Dichloro-2-aminopyrimidine
AKOS000121173
FT-0611088
2-Pyrimidinamine, 4,6-dichloro-
Py 11
DTXSID2049420
2-amino4,6-dichloropyrimidine
CCRIS 7460
4,6-dichloropyrimidine-2-amine
2-Amino-4,6 dichloroprimidine
2-amino-4,6-dichloro pyrimidine
4,6-dichloro-2-amino pyrimidine
4,6-dichloro-pyrimidin-2-yl-amine
TRANS RESVERATROL PENTA-O-ACETYL-4'-?-D-GLUCURONIDE METHYL ESTER
2-Amino-4,6-dichloropyrimidine-13C2
2-Amino 4,6-dichloro pyrimidine
SY003750
2-Amino-4,6-dichloropyrimidine
LS-134474
Z56758935
2-Pyrimidinamine,6-dichloro-
A1110
4,6-dichloropyrimidinamine
4,6-dichloropyrimidin-2-amine
885F759P8I
4,6-dichlorpyrimidin-2-ylamin
CHEMBL3188288

MDL Number

MFCD00006090

Customs Code

29335995

FAQ

What is 4,6-Dichloro-2-pyrimidinamine (CAS: 56-05-3)?

4,6-Dichloro-2-pyrimidinamine (CAS: 56-05-3) is a synthetic organic compound with the chemical formula C5H4Cl2N2. It is a white crystalline solid, known for its aromatic pyrimidine ring structure and amine functionality. This compound is commonly used as an intermediate in the synthesis of pharmaceuticals and agrochemicals due to its reactivity and versatility in chemical modifications.

What are the main uses of 4,6-Dichloro-2-pyrimidinamine (CAS: 56-05-3)?

4,6-Dichloro-2-pyrimidinamine (CAS: 56-05-3) is primarily utilized in pharmaceutical research for developing antiviral and anticancer drugs. It also serves as a key component in industrial applications, including the production of pesticides and dyes. Its chemical structure makes it valuable for synthesizing nucleotide analogs and other bioactive molecules, supporting advancements in medicinal chemistry and chemical synthesis.

Is 4,6-Dichloro-2-pyrimidinamine (CAS: 56-05-3) safe?

4,6-Dichloro-2-pyrimidinamine (CAS: 56-05-3) requires careful handling due to its potential toxicity. While it is not classified as highly hazardous under normal conditions, exposure may cause irritation. Safety measures include using personal protective equipment (PPE), ensuring proper ventilation, and adhering to OSHA and EPA guidelines. Always follow safety data sheet (SDS) recommendations for handling.

How should 4,6-Dichloro-2-pyrimidinamine (CAS: 56-05-3) be stored?

4,6-Dichloro-2-pyrimidinamine (CAS: 56-05-3) should be stored in a cool, dry place away from light. Keep in a sealed, airtight container to prevent moisture absorption and degradation. Maintain storage temperature below 25°C and humidity levels under 60% to ensure stability. Avoid contact with incompatible substances and store in a well-ventilated area as per safety standards.