4-Chloro-1H-pyrazolo[3,4-d]pyrimidine

Basic Information

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CAS Number

5399-92-8

Molecular Formula

C5H3ClN4

Molecular Weight

154.56 g/mol

Chemical Classification

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

>350?C

Boiling Point

348.3℃ at 760 mmHg

Density

1.653

Flash Point

348.315 °C at 760 mmHg

Refractive Index

1.739

SMILES

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C1=NNC2=C1C(=NC=N2)Cl

InChI

InChI=1S/C5H3ClN4/c6-4-3-1-9-10-5(3)8-2-7-4/h1-2H,(H,7,8,9,10)

InChIKey

YMXQUFUYCADCFL-UHFFFAOYSA-N

LogP

1.0063

Topological Polar Surface Area

54.46 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

131

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

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

Z1741971778
NSC4937
CS-D1776
SY005568
4-chloro-1H-pyrazolo[3 pound not4-d]pyrimidine
F0909-0060
NSC 4937
1H-Pyrazolo[3,4-d]pyrimidine, 4-chloro-
NSC-4937
4-Chloro-1H- pyrazolo[3,4-d]pyrimidine
MFCD03030404
4-chloro-2H-pyrazolo[3,4-d]pyrimidine
A7847
4-Chloro-1H-pyrazolo[3,4-d]pyrimidine
MF-0708
1821249-93-7
FT-0649592
EN300-27216
AC-3600
AKOS000266347
DTXSID20277919
4-chloro-1H-pyrazolo [3,4-d] pyrimidine
BCP26825
SDCCGMLS-0065537.P001
4-chloro-1H-pyrazolo[3,4-d]pyrmidine
5399-92-8
PB20011
4-Chloro-1H-pyrazolo-3,4-dpyrimidine
SCHEMBL11218
4-Chloro-1H-pyrazolo(3,4-d)pyrimidine
4-chloro-5H-pyrazolo[3,4-d]pyrimidine

MDL Number

MFCD03030404

Customs Code

2933990090

FAQ

What regulatory guidelines apply to 4-Chloro-1H-pyrazolo[3,4-d]pyrimidine (CAS: 5399-92-8)?

4-Chloro-1H-pyrazolo[3,4-d]pyrimidine (CAS: 5399-92-8) falls under the Hazardous Chemicals Management Regulations, complying with GHS classification for hazardous substances, REACH regulations in the EU, and FDA/EPA requirements for chemical safety in pharmaceutical and agricultural applications. Ensure proper labeling, storage, and disposal following local and international guidelines.

Are there alternatives to 4-Chloro-1H-pyrazolo[3,4-d]pyrimidine in synthesis (CAS: 5399-92-8)?

For synthesis, alternatives to 4-Chloro-1H-pyrazolo[3,4-d]pyrimidine (CAS: 5399-92-8) include similar heterocycles such as pyrazoles and pyrimidines, and alternative substituents like bromo, fluoro, or methoxy groups. Commonly used reagents include 1,3-dichloropyrimidine and 4-chloropyrazole, offering flexible synthetic routes.

What is the market or research trend for 4-Chloro-1H-pyrazolo[3,4-d]pyrimidine (CAS: 5399-92-8)?

The market for 4-Chloro-1H-pyrazolo[3,4-d]pyrimidine (CAS: 5399-92-8) is growing in pharmaceuticals and agriculture due to its antimicrobial and pesticidal properties. Research trends focus on developing new formulations and applications, driven by increasing demand and innovation in chemical technologies.

How should waste containing 4-Chloro-1H-pyrazolo[3,4-d]pyrimidine (CAS: 5399-92-8) be handled?

Waste containing 4-Chloro-1H-pyrazolo[3,4-d]pyrimidine (CAS: 5399-92-8) should be collected and disposed of in accordance with local regulations. Implement waste liquid collection systems, and consider professional waste disposal methods such as incineration or chemical neutralization. Ensure environmental protection measures are in place to prevent contamination and protect public health.