3-Iodo-2-pyridinamine

Basic Information

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CAS Number

104830-06-0

Molecular Formula

C5H5IN2

Molecular Weight

220.01 g/mol

EINECS

624-002-1

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

89.0 to 93.0 deg-C

Boiling Point

289.6 ºC at 760 mmHg

Density

2.055

Flash Point

128.9℃

Refractive Index

1.653

SMILES

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C1=CC(=C(N=C1)N)I

InChI

InChI=1S/C5H5IN2/c6-4-2-1-3-8-5(4)7/h1-3H,(H2,7,8)

InChIKey

UUDNBWSHTUFGDQ-UHFFFAOYSA-N

LogP

1.2684

pKa

4.50±0.36(Predicted)

Topological Polar Surface Area

38.91 Å²

Hydrogen Bond Donor/Acceptor

2 / 2

Complexity

76.8

Safety Information

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GHS Hazard Pictograms

H302

H315

H318

H335

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H318 Causes serious eye damage
Serious eye damage/eye irritation

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

Hazard Class

Class IRRITANT Class IRRITANT

Storage Conditions

Keep in dark place,Inert atmosphere,Room temperature

Sensitiveness

Air & Light Sensitive

Synonyms & References

English

CS-D0969
EN300-51745
3-Iodopyrid-2-ylamine
DTXSID50376767
UUDNBWSHTUFGDQ-UHFFFAOYSA-N
104830-06-0
9V6VS2Q32U
AC-1958
3-iodopyridin-2-ylamine
iodo-aminopyridine
2-Amino-3-iodopyridine, 96%
PB12756
3-Iodo-pyridin-2-ylamine
HY-32813
SCHEMBL312305
2-Amino-3-iodopyridine
2-amino-3-iodpyridine
3-Iodo-2-aminopyridine
MFCD01651885
AS-14957
2-PYRIDINAMINE, 3-IODO-
Q-103375
Z363805876
3-IODO-2-PYRIDINAMINE
SY002851
AM20050629
(3-Iodopyridin-2-yl)amine
BCP23089
3-Iodopyridin-2-amine
AKOS005255990
FT-0603736

MDL Number

MFCD01651885

EC Number

624-002-1

Customs Code

2933399090

FAQ

What are the physical and chemical properties of 3-Iodo-2-pyridinamine (CAS: 104830-06-0)?

3-Iodo-2-pyridinamine (CAS: 104830-06-0) is a crystalline solid with a molecular weight of approximately 225.03 g/mol. It has a solubility of about 0.5 mg/mL in water and is slightly soluble in organic solvents like ethanol. The compound is known for its reactivity, particularly towards nucleophilic substitution reactions.

How is 3-Iodo-2-pyridinamine (CAS: 104830-06-0) typically synthesized?

3-Iodo-2-pyridinamine is typically synthesized via the iodination of 2-pyridinamine using iodine in the presence of a base such as potassium carbonate. The reaction is carried out in a solvent like acetonitrile, with yields ranging from 70-80% and good selectivity towards the iodo substitution.

What industries use 3-Iodo-2-pyridinamine (CAS: 104830-06-0)?

3-Iodo-2-pyridinamine (CAS: 104830-06-0) is used primarily in the pharmaceutical industry for the synthesis of drug candidates. It also has potential applications in polymer chemistry for functionalization and in sensor technology for detecting specific analytes.

What precautions should be taken when handling 3-Iodo-2-pyridinamine (CAS: 104830-06-0)?

When handling 3-Iodo-2-pyridinamine (CAS: 104830-06-0), it is important to use personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a fume hood due to its reactivity. Spills should be cleaned up using appropriate absorbents, and proper disposal methods should be followed. Refer to the Safety Data Sheet (SDS) for detailed information on handling and storage.