2,6-Dichloro-7H-purine

Basic Information

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CAS Number

5451-40-1

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

White to Yellow Solid

Melting Point

185-195 °C (dec.)

Boiling Point

405.4°C at 760 mmHg

Flash Point

231.3 °C

Solubility

soluble

Refractive Index

1.6300 (estimate)

SMILES

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C1=NC2=C(N1)C(=NC(=N2)Cl)Cl

InChI

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

InChIKey

RMFWVOLULURGJI-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 IRRITANT Class IRRITANT

Synonyms & References

English

Purine,6-dichloro-
DTXSID60202922
2,6-Dichloropurine, purum, >=97.0% (AT)
2,6-dichloro-7H-purine
InChI=1/C5H2Cl2N4/c6-3-2-4(9-1-8-2)11-5(7)10-3/h1H,(H,8,9,10,11
2 pound not6-Dichloropurine
PB37489
1H-Purine,6-dichloro-
SCHEMBL37383
SB10534
AKOS026745404
KS-1014
2,6-dichloropurine, AldrichCPR
2,6-bis(chloranyl)-7H-purine
2,6-Dichloro-1H-purine
AC-2585
Purine, 2,6-dichloro-
2,6-dichlor-9H-purin
2,6-Dichloropurine
CHEMBL1256006
CS-W007367
NSC 18395
GS-3174
NSC-18395
2,6-Dichloropurine, 97%
2,6-dichloro-9H-purine
A830220
NS00033105
AB00438
9H-purine, 2,6-dichloro-
AKOS005073386

MDL Number

MFCD00077725

Customs Code

2942000000

FAQ

What is 2,6-Dichloro-7H-purine (CAS: 5451-40-1)?

2,6-Dichloro-7H-purine (CAS: 5451-40-1) is a purine derivative with chlorine atoms at the 2 and 6 positions. Its chemical formula is C5H4Cl2N4, and it appears as a white crystalline solid. It exhibits moderate solubility in polar solvents and is commonly used as a synthetic intermediate in pharmaceutical and chemical research due to its structural versatility and reactivity.

What are the main uses of 2,6-Dichloro-7H-purine (CAS: 5451-40-1)?

2,6-Dichloro-7H-purine (CAS: 5451-40-1) is primarily used in pharmaceuticals as a precursor for nucleoside analogs and antiviral agents. It also finds applications in industrial chemical synthesis, dye production, and research involving nucleotide derivatives. Its utility stems from the ability to modify its structure for various functional purposes in drug development and organic chemistry.

Is 2,6-Dichloro-7H-purine (CAS: 5451-40-1) safe?

2,6-Dichloro-7H-purine (CAS: 5451-40-1) requires careful handling due to potential toxicity. It may cause skin and eye irritation, and inhalation or ingestion should be avoided. Safety standards recommend using appropriate protective gear, such as gloves and goggles, and working in well-ventilated areas. Always follow OSHA and EPA guidelines for handling hazardous chemicals.

How should 2,6-Dichloro-7H-purine (CAS: 5451-40-1) be stored?

2,6-Dichloro-7H-purine (CAS: 5451-40-1) should be stored in a cool, dry place away from light and moisture. Keep in a sealed, airtight container made of glass or HDPE to maintain stability. It is sensitive to humidity and light, so proper storage conditions are critical to prevent degradation and ensure safety.