6-(Bromomethyl)-2,4-pteridinediamine hydrobromide (1:1)

Basic Information

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CAS Number

52853-40-4

Molecular Formula

C7H8Br2N6

Molecular Weight

335.99 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Amines

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

>195°C (dec.)

SMILES

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C1=C(N=C2C(=NC(=NC2=N1)N)N)CBr.Br

InChI

InChI=1S/C7H7BrN6.BrH/c8-1-3-2-11-6-4(12-3)5(9)13-7(10)14-6;/h2H,1H2,(H4,9,10,11,13,14);1H

InChIKey

KMQIBGKVZDBGAH-UHFFFAOYSA-N

LogP

1.057

Topological Polar Surface Area

103.6 Å²

Hydrogen Bond Donor/Acceptor

4 / 6

Complexity

203

Synonyms & References

English

6-(Bromomethyl)-2,4-pteridinediamine hydrobromide, tech grade
6-Bromomethyl-pteridine-2,4-diamine HBr
6-(Bromomethyl)-2,4-diaminopteridine Hydrobromide
6-(bromomethyl)pteridine-2,4-diamine (hydrobromide)
6-(bromomethyl)pteridine-2,4-diamine HBr
NSC253943
BCP09299
DTXSID00967321
6-(bromomethyl)pteridine-2,4-diamine;hydrobromide
FT-0663793
MFCD09833976
6-bromomethyl-2,4-diaminopteridine hydrobromide
AS-20012
2,4-Pteridinediamine,6-(bromomethyl)-, hydrobromide (1:1) ;
6-(Bromomethyl)-2-imino-2,3-dihydropteridin-4-amine--hydrogen bromide (1/1)
AKOS016001372
6-(bromomethyl)pteridine-2,4-diamine hydrobromide
6-bromomethyl-2,4-pteridinediamine hydrobromide
CS-B0319
2,4-Diamino-6-(bromomethyl)pteridine Hydrobromide
SCHEMBL1116048
AMY42059
NSC-253943
2,4-diamino-6-bromomethylpteridine hydrobromide
6-(Bromomethyl)-2,4-Pteridinediamine HBr
A851765
2,4-Pteridinediamine, 6-(bromomethyl)-, monohydrobromide
(6-bromomethyl)-2,4-pteridinediamine hydrobromide
52853-40-4
6-(Bromomethyl)-2,4-pteridinediamine Hydrobromide (Technical Grade)
6-bromomethyl-2, 4-pteridinediamine hydrobromide

MDL Number

MFCD09833976

Customs Code

2933990090

FAQ

What are the physical and chemical properties of 6-(Bromomethyl)-2,4-pteridinediamine hydrobromide (CAS: 52853-40-4)?

6-(Bromomethyl)-2,4-pteridinediamine hydrobromide (CAS: 52853-40-4) is a crystalline compound with a molecular weight of approximately 328.04 g/mol. It is sparingly soluble in water but soluble in organic solvents like methanol. Chemically, it is a diamine derivative with a bromomethyl substituent, exhibiting basic properties and reactivity typical of amines. It is stable under normal conditions but may react with strong acids or bases.

How is 6-(Bromomethyl)-2,4-pteridinediamine hydrobromide (CAS: 52853-40-4) typically synthesized?

6-(Bromomethyl)-2,4-pteridinediamine hydrobromide is typically synthesized through a multi-step process involving the bromination of a 2,4-pteridinediamine followed by the addition of a bromomethyl group. The synthesis involves the use of bromine and a suitable bromination agent, with careful control of reaction conditions to achieve high yield and selectivity. Commonly used solvents include dichloromethane and acetonitrile.

What industries use 6-(Bromomethyl)-2,4-pteridinediamine hydrobromide (CAS: 52853-40-4)?

6-(Bromomethyl)-2,4-pteridinediamine hydrobromide (CAS: 52853-40-4) is used in various industries, particularly in pharmaceuticals for its potential as an intermediate in drug synthesis. It also finds applications in the development of sensors and semiconductors, where its unique chemical properties are utilized.

What precautions should be taken when handling 6-(Bromomethyl)-2,4-pteridinediamine hydrobromide (CAS: 52853-40-4)?

When handling 6-(Bromomethyl)-2,4-pteridinediamine hydrobromide (CAS: 52853-40-4), it is crucial to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a laboratory coat. Work should be conducted in a fume hood to minimize exposure. In case of a spill, immediately clean up using appropriate absorption materials and dispose of waste according to local regulations. Always refer to the Safety Data Sheet (SDS) for detailed handling and disposal information.