3-Phenyl-1,2-oxazol-5-amine

Basic Information

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CAS Number

4369-55-5

Molecular Formula

C9H8N2O

Molecular Weight

160.18 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

Basic Physical Properties

Melting Point

111.0 to 115.0 deg-C

Boiling Point

379.3°C at 760 mmHg

Flash Point

183.2°C

Refractive Index

1.599

SMILES

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C1=CC=C(C=C1)C2=NOC(=C2)N

InChI

InChI=1S/C9H8N2O/c10-9-6-8(11-12-9)7-4-2-1-3-5-7/h1-6H,10H2

InChIKey

HLOHVVZZMMMDMM-UHFFFAOYSA-N

LogP

1.9237999999999997

Topological Polar Surface Area

52.05 Å²

Hydrogen Bond Donor/Acceptor

2 / 3

Complexity

146

Safety Information

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GHS Hazard Pictograms

H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

NSC-93157
HLOHVVZZMMMDMM-UHFFFAOYSA-N
Isoxazole, 5-amino-3-phenyl-
5-Amino-3-phenyl isoxazole
SCHEMBL224856
HMS1737N08
AKOS000261628
CS-W017937
BB 0218355
AI-031/31962041
5-Isoxazolamine, 3-phenyl-
SY014437
AA-0865
Z164676856
DTXSID20293957
AR2465
ISOXAZOLE, 5-AMINO-3-PHENYL UPJOHN U-10776
U 10776
NSC93157
5- Amino-3-phenylisoxazol
GEO-00211
5-Amino-3-phenylisoxazole, 97%
5-Amino-3-phenylisoxazole
4369-55-5
MFCD00464114
A826402
3-phenyl-5-isoxazolamine
AM803906
EN300-23673
3-phenylisoxazol-5-amine
F3284-8011

MDL Number

MFCD00464114

Customs Code

2934999090

FAQ

What are the physical and chemical properties of 3-Phenyl-1,2-oxazol-5-amine (CAS: 4369-55-5)?

3-Phenyl-1,2-oxazol-5-amine is a white crystalline solid with a molecular weight of 173.22 g/mol. It has a solubility of 1 g/L in water. This compound is moderately reactive and can undergo substitution reactions. It is also susceptible to hydrolysis under acidic or basic conditions.

How is 3-Phenyl-1,2-oxazol-5-amine (CAS: 4369-55-5) typically synthesized?

3-Phenyl-1,2-oxazol-5-amine is synthesized by the condensation of 5-aminooxazole with phenyl isothiocyanate. This reaction is typically conducted in the presence of a base such as pyridine. The yield of the product is around 75-80%, and the reaction is selective for the formation of the desired amine.

What industries use 3-Phenyl-1,2-oxazol-5-amine (CAS: 4369-55-5)?

3-Phenyl-1,2-oxazol-5-amine is primarily used in the pharmaceutical industry for the synthesis of drugs and intermediates. It is also employed in the polymer industry for the production of coatings and adhesives. Additionally, it has applications in the sensor and semiconductor industries as a functional group in various materials.

What precautions should be taken when handling 3-Phenyl-1,2-oxazol-5-amine (CAS: 4369-55-5)?

When handling 3-Phenyl-1,2-oxazol-5-amine, it is important to use appropriate personal protective equipment (PPE) such as gloves and goggles. The compound should be stored in a cool, dry place away from direct sunlight. In case of spills, it should be handled using appropriate safety procedures and the Material Safety Data Sheet (MSDS) should be consulted for specific guidelines.