5-(Bromomethyl)-2,4-pyrimidinediamine dihydrobromide

Basic Information

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CAS Number

89446-58-2

Molecular Formula

C5H9Br3N4

Molecular Weight

364.87 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

Boiling Point

452.8ºC at 760 mmHg

Density

1.846 g/cm3

Flash Point

452.8 °C at 760 mmHg

SMILES

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NC1=NC=C(CBr)C(N)=N1.[H]Br.[H]Br

InChI

InChI=1S/C5H7BrN4.2BrH/c6-1-3-2-9-5(8)10-4(3)7;;/h2H,1H2,(H4,7,8,9,10);2*1H

InChIKey

RDHUSQVPJAGTLI-UHFFFAOYSA-N

LogP

1.6917

Topological Polar Surface Area

77.82 Å²

Hydrogen Bond Donor/Acceptor

4 / 4

Complexity

110

Synonyms & References

English

5-(Bromomethyl)pyrimidine-2,4-diamine dihydrobromide
5-(Bromomethyl)-2,4-pyrimidinediamine
2,4-Diamino-5-(bromomethyl)pyrimidine
2,4-DIAMINO-5-BROMOMETHYL-PYRIMIDINE
5-BROMOMETHYL-PYRIMIDINE-2,4-DIAMINE
2,4-Pyrimidinediamine, 5-(bromomethyl)-, dihydrobromide (9CI)

MDL Number

MFCD06410822

FAQ

What is 5-(Bromomethyl)-2,4-pyrimidinediamine dihydrobromide (CAS: 89446-58-2)?

5-(Bromomethyl)-2,4-pyrimidinediamine dihydrobromide (CAS: 89446-58-2) is a chemical compound with a bromomethyl group attached to the 5-position of a pyrimidine ring, and it is a dihydrobromide salt. It is a white to off-white powder with a molecular formula of C6H6Br4N4 and a molecular weight of approximately 365.04 g/mol. This compound is characterized by its stability and reactivity, making it useful in various applications.

What are the main uses of 5-(Bromomethyl)-2,4-pyrimidinediamine dihydrobromide (CAS: 89446-58-2)?

5-(Bromomethyl)-2,4-pyrimidinediamine dihydrobromide (CAS: 89446-58-2) is primarily used in the pharmaceutical industry as an intermediate for the synthesis of other compounds. It is also utilized in research settings for its reactivity and as a starting material for various chemical transformations. Its applications include drug development and the preparation of other functional chemicals.

Is 5-(Bromomethyl)-2,4-pyrimidinediamine dihydrobromide (CAS: 89446-58-2) safe?

5-(Bromomethyl)-2,4-pyrimidinediamine dihydrobromide (CAS: 89446-58-2) is generally considered safe when handled with appropriate precautions. It should be stored in a well-ventilated area, and users should wear protective equipment such as gloves and eye protection. It is important to avoid contact with skin and eyes, and to ensure proper disposal and containment to prevent environmental contamination.

How should 5-(Bromomethyl)-2,4-pyrimidinediamine dihydrobromide (CAS: 89446-58-2) be stored?

5-(Bromomethyl)-2,4-pyrimidinediamine dihydrobromide (CAS: 89446-58-2) should be stored in a cool, dry place away from direct sunlight and heat sources to maintain its stability. It should be kept in a tightly sealed container to prevent moisture absorption and degradation. The storage area should have good ventilation to minimize the risk of flammable or explosive conditions. It is also advisable to store it in a secure location to prevent accidental exposure or misuse.