6-Bromo-1H-purine

Basic Information

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CAS Number

767-69-1

Molecular Formula

C5H3BrN4

Molecular Weight

199.01 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

Melting Point

>300 °C

Boiling Point

472.8°C at 760 mmHg

SMILES

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

InChI

InChI=1S/C5H3BrN4/c6-4-3-5(9-1-7-3)10-2-8-4/h1-2H,(H,7,8,9,10)

InChIKey

CTGFGRDVWBZYNB-UHFFFAOYSA-N

LogP

1.1154

Topological Polar Surface Area

54.46 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

131

Safety Information

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GHS Hazard Pictograms

H315

H319

H335

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

Synonyms & References

English

DTXSID20227499
A9730
Z2685927705
CS-W010522
FT-0632919
SY012323
EINECS 212-187-8
STR08792
EN300-252017
W-203756
MFCD00022648
rabectedin
6-BROMO-7H-PURINE
Purine, 6-bromo-
767-69-1
AKOS003398781
PD060119
P17218
BB-127E
6-Bromo purine
NSC 45150
6-Bromo-1H-purine
9H-Purine, 6-bromo-
AM20080938
AKOS009156641
AC-23871
(S)-2-Amino-3-(diethanolamino)propanoicacid
DB02168
SCHEMBL13014
6-Bromopurine, 98%
6-bromo-9H-purine

MDL Number

MFCD00022648

Customs Code

2933990090

FAQ

What are the physical and chemical properties of 6-Bromo-1H-purine (CAS: 767-69-1)?

6-Bromo-1H-purine (CAS: 767-69-1) is a crystalline compound with a molecular weight of approximately 230.02 g/mol. It has a solubility of about 0.2 g/L in water and is slightly soluble in organic solvents. It is moderately reactive, especially towards nucleophilic substitution reactions. The compound is stable under normal conditions but should be stored in a cool, dry place away from moisture and oxidizing agents.

How is 6-Bromo-1H-purine (CAS: 767-69-1) typically synthesized?

6-Bromo-1H-purine is commonly synthesized through bromination of 1H-purine using bromine in the presence of a base such as sodium hydroxide. The reaction is typically performed in an organic solvent like methanol. The yield is around 70-80%, and the reaction is selective, providing high purity products.

What industries use 6-Bromo-1H-purine (CAS: 767-69-1)?

6-Bromo-1H-purine is primarily used in the pharmaceutical industry for the synthesis of purine derivatives with potential therapeutic applications. It is also used in the production of certain dyes and in academic research for studying purine metabolism and related biochemical pathways.

What precautions should be taken when handling 6-Bromo-1H-purine (CAS: 767-69-1)?

When handling 6-Bromo-1H-purine (CAS: 767-69-1), it is important to use personal protective equipment (PPE) such as gloves, goggles, and a laboratory coat. Work in a well-ventilated area or a fume hood to avoid inhaling bromine vapor. Spills should be handled with caution using appropriate absorbents, and the area should be thoroughly cleaned. Always refer to the Safety Data Sheet (SDS) for detailed information on handling and storage.