4,6-Dichloro-1H-pyrazolo[3,4-d]pyrimidine

Basic Information

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CAS Number

42754-96-1

Molecular Formula

C5H2Cl2N4

Molecular Weight

189.01 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

140-149°C

Refractive Index

1.74

SMILES

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

InChI

InChI=1S/C5H2Cl2N4/c6-3-2-1-8-11-4(2)10-5(7)9-3/h1H,(H,8,9,10,11)

InChIKey

CTYPROOLWJDUTA-UHFFFAOYSA-N

LogP

1.6596999999999997

Topological Polar Surface Area

54.46 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

155

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

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

Hazard Class

Class 6.1 Class 6.1

Synonyms & References

English

MFCD09835493
CTYPROOLWJDUTA-UHFFFAOYSA-N
AM20100128
42754-96-1
SCHEMBL53863
4,6-Dichloro-1H-pyrazolo[3,4-d]pyrimidine
AS-11306
Q-103540
4,6-Dichloro-1H-pyrazolo[3,4-d]pyrimidine, AldrichCPR
PB17672
SY006451
Z959275470
CS-W008775
4,6-dichloro-2H-pyrazolo[3,4-d]pyrimidine
EN300-61106
AKOS005145801
BB 0261033
FT-0648968
BCP26477
4,6-DICHLOROPYRAZOLO[3,4-D]PYRIMIDINE
A6943
AC-6901
DTXSID10476853
4,6-Dichloro pyrazolo[3,4-d]pyrimidine
4,6-Dichloropyrazolo[3,4-d] Pyrimidine
1H-Pyrazolo[3,4-d]pyrimidine, 4,6-dichloro-
PubChem14623
4,6-dichloro-1H-pyrazolo [3,4-d] pyrimidine
KSC497A1B
EBD52678
CD0117

MDL Number

MFCD09835493

Customs Code

2933990090

FAQ

What regulatory guidelines apply to 4,6-Dichloro-1H-pyrazolo[3,4-d]pyrimidine (CAS: 42754-96-1)?

4,6-Dichloro-1H-pyrazolo[3,4-d]pyrimidine (CAS: 42754-96-1) is subject to the Globally Harmonized System of Classification and Labelling of Chemicals (GHS), REACH regulations, and FDA and EPA guidelines. It must be properly labeled with hazard symbols and safety data sheets (SDS) must be available for handling and storage. Compliance with local and regional regulations is also necessary.

Are there alternatives to 4,6-Dichloro-1H-pyrazolo[3,4-d]pyrimidine (CAS: 42754-96-1) in synthesis?

Several alternatives to 4,6-Dichloro-1H-pyrazolo[3,4-d]pyrimidine (CAS: 42754-96-1) can be used in synthesis, including 4,6-Difluoro-1H-pyrazolo[3,4-d]pyrimidine and 4,6-Dimethyl-1H-pyrazolo[3,4-d]pyrimidine. These compounds offer similar functional groups for various chemical transformations, providing flexibility in synthetic routes.

What is the market or research trend for 4,6-Dichloro-1H-pyrazolo[3,4-d]pyrimidine (CAS: 42754-96-1)?

The market for 4,6-Dichloro-1H-pyrazolo[3,4-d]pyrimidine (CAS: 42754-96-1) is driven by its applications in pharmaceuticals and agrochemicals. Research trends focus on its potential as an intermediate in drug discovery and development, with ongoing studies exploring its use in treating various diseases. Market trends indicate increasing demand due to its unique properties and broad applicability.

How should waste containing 4,6-Dichloro-1H-pyrazolo[3,4-d]pyrimidine (CAS: 42754-96-1) be handled?

Waste containing 4,6-Dichloro-1H-pyrazolo[3,4-d]pyrimidine (CAS: 42754-96-1) should be collected in appropriate containers and disposed of according to local regulations. Incineration is a common method for disposal, but professional waste disposal services are recommended to ensure compliance with environmental protection standards. Proper labeling and documentation of the waste are essential to ensure safe handling and disposal.