5-Iodopyrimidin-4-amine

Basic Information

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CAS Number

91416-96-5

Molecular Formula

C4H4IN3

Molecular Weight

221 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

322.7°C at 760 mmHg

SMILES

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C1=C(C(=NC=N1)N)I

InChI

InChI=1S/C4H4IN3/c5-3-1-7-2-8-4(3)6/h1-2H,(H2,6,7,8)

InChIKey

HTBFTDHEWCRQPJ-UHFFFAOYSA-N

LogP

0.6634000000000001

Topological Polar Surface Area

51.8 Å²

Hydrogen Bond Donor/Acceptor

2 / 3

Complexity

77.7

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H332 Harmful if inhaled
Acute toxicity, inhalation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

4-Amino-5-iodopyrimidine
5-Iodopyrimidin-4-amine
4-Pyrimidinamine, 5-iodo-
4-Pyrimidinamine,5-iodo
5-iodanylpyrimidin-4-amine
5-iodo-4-aminopyrimidine
5-iodo-4-pyrimidinamine
5-iodo-pyrimidin-4-yl amine
5-iodopyrimidine-4-amine
5-Jod-pyrimidin-4-ylamin
5-iodo-pyrimidin-4-ylamine
HTBFTDHEWCRQPJ-UHFFFAOYSA-N
BCP30397
ST2412055
W9386
416I965
A843860
5-Iodopyrimidin-4-amine pound>>4-Pyrimidinamine, 5-
5-Iodo-4-pyrimidinamine (ACI)
(5-Iodopyrimidin-4-yl)amine
SY112544
SCHEMBL1312222
5-Iodopyrimidin-4-amine pound>>4-Pyrimidinamine, 5-iodo- pound>>5-iodo-4-pyrimidinamine
DTXSID20532792
EN300-7322956
5-iodopyrimidin-4-amine
GS-5873
91416-96-5
J-514398
MFCD09999223
4-AMINO-5-IODOPYRIMIDINE

MDL Number

MFCD09999223

Customs Code

2933599090

FAQ

What are the physical and chemical properties of 5-Iodopyrimidin-4-amine (CAS: 91416-96-5)?

5-Iodopyrimidin-4-amine (CAS: 91416-96-5) is a crystalline solid with a molecular weight of approximately 241.01 g/mol. It has a low solubility in water but is soluble in organic solvents like methanol and dimethylformamide. The compound exhibits moderate reactivity, particularly towards nucleophiles, and is stable under normal storage conditions.

How is 5-Iodopyrimidin-4-amine (CAS: 91416-96-5) typically synthesized?

5-Iodopyrimidin-4-amine can be synthesized through a multi-step reaction involving the iodination of pyrimidine followed by amination. Commonly, pyrimidine is iodinated using sodium iodide and sodium hydroxide, and then aminating the product with an appropriate amine under basic conditions. This process requires careful control of pH and temperature to achieve good yield and selectivity.

What industries use 5-Iodopyrimidin-4-amine (CAS: 91416-96-5)?

5-Iodopyrimidin-4-amine (CAS: 91416-96-5) is primarily used in the pharmaceutical industry for the synthesis of drug intermediates. It also has applications in the development of sensors and semiconductors due to its unique chemical properties.

What precautions should be taken when handling 5-Iodopyrimidin-4-amine (CAS: 91416-96-5)?

When handling 5-Iodopyrimidin-4-amine (CAS: 91416-96-5), wear appropriate personal protective equipment (PPE) including gloves and safety goggles. Work in a well-ventilated area or a fume hood to minimize inhalation risk. Follow standard laboratory safety protocols and keep the compound away from strong acids and bases. In case of spill, neutralize with an appropriate base and dispose of according to local regulations. Always refer to the Safety Data Sheet (SDS) for detailed handling information.