5-(4-Chlorophenyl)-6-ethyl-2-imino-2,3-dihydro-4-pyrimidinamine | CAS No. 58-14-0

Q: How should 5-(4-Chlorophenyl)-6-ethyl-2-imino-2,3-dihydro-4-pyrimidinamine (CAS: 58-14-0) be stored?

Store 5-(4-Chlorophenyl)-6-ethyl-2-imino-2,3-dihydro-4-pyrimidinamine (CAS: 58-14-0) in a sealed, cool (below 25°C), and dry place, away from light and moisture. Use airtight containers made of glass or polyethylene to maintain stability. Keep it in a flammable storage cabinet to prevent degradation. Avoid exposure to heat and air to ensure long-term preservation.

5-(4-Chlorophenyl)-6-ethyl-2-imino-2,3-dihydro-4-pyrimidinamine

Basic Information

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CAS Number

58-14-0

Molecular Formula

C12H13ClN4

Molecular Weight

248.72 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

Powder

Melting Point

239.0 to 243.0 deg-C

Boiling Point

491.5°C at 760 mmHg

Water Solubility

<0.01 g/100 mL at 21 ºC

Flash Point

251°C

Refractive Index

1.6110 (estimate)

Vapor Pressure

0.0±0.8 mmHg at 25°C

SMILES

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CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C12H13ClN4/c1-2-9-10(11(14)17-12(15)16-9)7-3-5-8(13)6-4-7/h3-6H,2H2,1H3,(H4,14,15,16,17)

InChIKey

WKSAUQYGYAYLPV-UHFFFAOYSA-N

LogP

2.5238000000000005

Topological Polar Surface Area

77.82 Å²

Hydrogen Bond Donor/Acceptor

4 / 4

Complexity

243

Safety Information

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GHS Hazard Pictograms

H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Hazard Class

Class 6.1(b) Class 6.1(b)

Stability

Stable, but light sensitive. Combustible. Incompatible with strong oxidizing agents.

Synonyms & References

English

NCGC00016256-14
Darachlor
BRD-K88429204-001-18-7
Pyrimethaminum [INN-Latin]
HMS1568G15
NCGC00016256-11
5-(4-Chlorophenyl)-6-ethyl-2,4-pyrimidi nediamine
PYRIMETHAMINE [USP-RS]
2,4,-Diamino-5-(4-chlorophenyl)-6-ethylpyrimidine
UNII-Z3614QOX8W
Darapram
NCGC00254199-01
D00488
PYRIMETHAMINE [MART.]
CRL-8142 & Pyrimethamine
Malacid
NCGC00016256-07
2,4-diamino-6-ethyl-5-(4-chlorophenyl)pyrimidine
HSDB 8042
D0C0SK
Spectrum4_000494
GlaxoSmithKline Brand of Pyrimethamine
PYRIMETHAMINE [EP MONOGRAPH]
KBio2_006522
Glaxo Wellcome Brand of Pyrimethamine
BRD9204
PYRIMETHAMINE [JAN]
Tox21_110332_1
Maloprim
HMS3655D09
pyrimethamin-

MDL Number

MFCD00057350

Customs Code

2933990090

FAQ

What is 5-(4-Chlorophenyl)-6-ethyl-2-imino-2,3-dihydro-4-pyrimidinamine (CAS: 58-14-0)?

5-(4-Chlorophenyl)-6-ethyl-2-imino-2,3-dihydro-4-pyrimidinamine (CAS: 58-14-0) is a pyrimidine derivative with a molecular formula of C12H12ClN3. It is a solid at room temperature, characterized by its chlorinated aromatic ring and ethyl group substitutions. The compound exhibits moderate solubility in organic solvents and is commonly used in chemical synthesis and research applications.

What are the main uses of 5-(4-Chlorophenyl)-6-ethyl-2-imino-2,3-dihydro-4-pyrimidinamine (CAS: 58-14-0)?

5-(4-Chlorophenyl)-6-ethyl-2-imino-2,3-dihydro-4-pyrimidinamine (CAS: 58-14-0) is primarily used as an intermediate in pharmaceutical research, particularly in the development of drugs targeting neurological or metabolic disorders. It also finds applications in agrochemicals and organic synthesis due to its structural versatility. Its use in industrial and food sectors is limited, with focus on research and specialized chemical manufacturing.

Is 5-(4-Chlorophenyl)-6-ethyl-2-imino-2,3-dihydro-4-pyrimidinamine (CAS: 58-14-0) safe?

5-(4-Chlorophenyl)-6-ethyl-2-imino-2,3-dihydro-4-pyrimidinamine (CAS: 58-14-0) requires careful handling due to potential irritant properties. Safety data sheets (SDS) recommend protective measures such as gloves, goggles, and ventilation. While not classified as highly toxic, it may pose risks upon prolonged exposure or ingestion. Always follow OSHA and EPA guidelines for safe use and disposal.

How should 5-(4-Chlorophenyl)-6-ethyl-2-imino-2,3-dihydro-4-pyrimidinamine (CAS: 58-14-0) be stored?

Store 5-(4-Chlorophenyl)-6-ethyl-2-imino-2,3-dihydro-4-pyrimidinamine (CAS: 58-14-0) in a sealed, cool (below 25°C), and dry place, away from light and moisture. Use airtight containers made of glass or polyethylene to maintain stability. Keep it in a flammable storage cabinet to prevent degradation. Avoid exposure to heat and air to ensure long-term preservation.