4-Chloro-2-pyrimidinamine

Basic Information

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CAS Number

3993-78-0

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

Physical State

White to Yellow Solid

Melting Point

155-160 °C (dec.)

Boiling Point

314.6°C at 760 mmHg

Density

1.437

Flash Point

144.1℃

Solubility

Soluble in dimethyl sulfoxide.

Refractive Index

1.618

SMILES

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C1=CN=C(N=C1Cl)N

InChI

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

InChIKey

DBGFGNCFYUNXLD-UHFFFAOYSA-N

LogP

0.7121999999999999

Topological Polar Surface Area

51.8 Å²

Hydrogen Bond Donor/Acceptor

2 / 3

Complexity

77.7

Safety Information

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GHS Hazard Pictograms

H302

H315

H318

H335

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H318 Causes serious eye damage
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

PB21638
2-amine-4-chloropyrimidine
2-Amino-4-chloropyrimidine
4-chloro-2-pyrimidinylamine
SY013794
SCHEMBL189927
Q-102298
AC-039
MFCD00038021
PS-4932
2-AMINO-4-CHLORPYRIMIDINE
AC-907/30002014
3993-78-0
NSC-10872
4-Chloro-2-pyrimidinamine
NSC25184
AKOS000270531
CS-D0608
BP-13211
AM20100056
BCP23031
FT-0600593
2-Amino-4-chloropyrimidine, 97%
EN300-56463
2-pyrimidinamine, 4-chloro-
4-chloropyrimidin-2-amine
4-Chloro-2-pyrimidinamine #
2-amino-4-chloro-pyrimidine
DTXSID90278978
NSC-25184
NSC10872

MDL Number

MFCD00038021

Customs Code

2942000000

FAQ

What regulatory guidelines apply to 4-Chloro-2-pyrimidinamine (CAS: 3993-78-0)?

4-Chloro-2-pyrimidinamine (CAS: 3993-78-0) falls under the GHS classification as a hazardous chemical, specifically classified as a skin and eye irritant. It is also regulated under REACH in the EU, requiring registration and notification of supply. FDA and EPA may have additional handling and environmental discharge regulations for this compound in the USA, focusing on proper disposal and environmental protection.

Are there alternatives to 4-Chloro-2-pyrimidinamine (CAS: 3993-78-0) in synthesis?

Alternatives to 4-Chloro-2-pyrimidinamine (CAS: 3993-78-0) in synthesis include other pyrimidinamines or related compounds like 5-chloro-2-pyrimidinamine. Common reagents used as substitutes include amines, chlorides, and other nitrogen-containing compounds that can be used to synthesize similar functional groups.

What is the market or research trend for 4-Chloro-2-pyrimidinamine (CAS: 3993-78-0)?

Market trends for 4-Chloro-2-pyrimidinamine (CAS: 3993-78-0) are currently influenced by its applications in pharmaceuticals and agrochemicals. Research is focusing on its potential as an intermediate in drug synthesis and as a herbicide. Price trends show stability with minor fluctuations based on supply and demand. Emerging research fields are exploring its use in targeted drug delivery systems and as a biocide.

How should waste containing 4-Chloro-2-pyrimidinamine (CAS: 3993-78-0) be handled?

Waste containing 4-Chloro-2-pyrimidinamine (CAS: 3993-78-0) should be managed through proper collection in sealed containers. Incineration should be conducted in an incinerator designed for hazardous waste. For professional waste disposal, contact a licensed hazardous waste management company. Ensure to follow all environmental protection precautions and adhere to local regulations for safe disposal.