6-Chloro-7H-purine

Basic Information

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CAS Number

87-42-3

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

Melting Point

>300 °C (dec.)

Boiling Point

254.17°C (rough estimate)

Density

1.4649 (rough estimate)

Water Solubility

5 g/L

Flash Point

256.9oC at 760 mmHg

Solubility

5 g/L

Refractive Index

1.8430 (estimate)

SMILES

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

InChI

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

InChIKey

ZKBQDFAWXLTYKS-UHFFFAOYSA-N

LogP

1.0062999999999998

Topological Polar Surface Area

54.46 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

131

Safety Information

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GHS Hazard Pictograms

H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

EINECS 201-745-6
AI3-26401
s4801
6-Chloro-9H-purine
PS-3424
6-CP
CCRIS 3908
6-Chloropurine, >=99%
STR05267
UNII-OH8700156W
6-Chloropurin-9-yl
OH8700156W
6-chloro-purine
BP-10522
X 47
6-chlor-7H-purin
C5H3ClN4
NSC-744
6-chlorpurin
US9138393, 6-Chloropurine
Q27285654
CHEBI:177625
Purine, 6-chloro-
MFCD00075825
6-Chloropurine, >=95.0% (HPLC)
CS-W008651
NSC 744
AM20110246
STK501251
ZKBQDFAWXLTYKS-UHFFFAOYSA-
AC-3252

MDL Number

MFCD00075825

Customs Code

2933990090

FAQ

What is 6-Chloro-7H-purine (CAS: 87-42-3)?

6-Chloro-7H-purine (CAS: 87-42-3) is a heterocyclic organic compound with the chemical formula C5H4ClN5. It is a white crystalline solid that exhibits moderate solubility in water and is commonly used as a nucleoside analog or precursor in pharmaceutical research. Its structure resembles purine, a key component of DNA and RNA, but with a chlorine substituent at the 6th position, altering its biological activity and chemical reactivity.

What are the main uses of 6-Chloro-7H-purine (CAS: 87-42-3)?

6-Chloro-7H-purine (CAS: 87-42-3) is primarily utilized in pharmaceuticals as a building block for antiviral and anticancer drug development. It also serves as an intermediate in the synthesis of various organic compounds and is applied in research for studying nucleotide metabolism. Additionally, it finds use in industrial chemistry for creating derivatives with specific functional groups.

Is 6-Chloro-7H-purine (CAS: 87-42-3) safe?

6-Chloro-7H-purine (CAS: 87-42-3) is considered hazardous due to potential toxicity upon ingestion, inhalation, or skin contact. Safety precautions include wearing protective gloves, goggles, and lab coats when handling. It should be stored securely, and exposure limits are regulated under OSHA and EPA guidelines. Always refer to the safety data sheet (SDS) for specific handling instructions.

How should 6-Chloro-7H-purine (CAS: 87-42-3) be stored?

6-Chloro-7H-purine (CAS: 87-42-3) should be stored in a cool, dry place (ideally 2-8°C), protected from light and moisture. It is best kept in a sealed, airtight container made of glass or HDPE to maintain stability. Avoid exposure to heat and incompatible substances to prevent degradation or hazardous reactions.