5-Aminoisoxazole-4-carbonitrile

Basic Information

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CAS Number

98027-17-9

Molecular Formula

C4H3N3O

Molecular Weight

98.1 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Amines

Basic Chemical Raw Materials Organic Chemicals Nitriles

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

Boiling Point

378.1℃ at 760 mmHg

Density

1.39±0.1 g/cm3 (20 ºC 760 Torr),

Flash Point

182.5°C

Refractive Index

1.556

SMILES

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C1=NOC(=C1C#N)N

InChI

InChI=1S/C4H3N3O/c5-1-3-2-7-8-4(3)6/h2H,6H2

InChIKey

HAZRYIRJNFYOLH-UHFFFAOYSA-N

LogP

0.5652200000000001

Topological Polar Surface Area

52.05 Å²

Hydrogen Bond Donor/Acceptor

2 / 3

Complexity

127

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

5-Aminoisoxazole-4-carbonitrile
4-Isoxazolecarbonitrile,5-amino-(6CI,9CI)
5-amino-1,2-oxazole-4-carbonitrile
5-amino-4-Isoxazolecarbonitrile
5-Amino-isoxazole-4-carbonitrile
5-amino-4-isoxazolecarbonitrile(SALTDATA: FREE)
NSC 220469
4-Isoxazolecarbonitrile, 5-amino-
5-Amino-4-cyanoisoxazole
NSC220469
PubChem15486
4-cyano-5-aminoisoxazole
RSCBB000032
HAZRYIRJNFYOLH-UHFFFAOYSA-N
RSC000836
STK782825
SBB002694
TRA0052471
SY029358
ST
5-Amino-4-isoxazolecarbonitrile (ACI)
98027-17-9
AS-48890
ALBB-020153
EN300-35474
DB-011485
Z56983135
4-isoxazolecarbonitrile,5-amino-(6ci,9ci)
FD13120
SCHEMBL5158238
5-amino-4-isoxazolecarbonitrile

MDL Number

MFCD00128284

Customs Code

2934999090

FAQ

What is 5-Aminoisoxazole-4-carbonitrile (CAS: 98027-17-9)?

5-Aminoisoxazole-4-carbonitrile (CAS: 98027-17-9) is an organic compound with the chemical formula C4H5N5. It is characterized by its aromatic and nitrile functionalities, and is known for its potential as a pharmaceutical intermediate and for its use in organic synthesis.

What are the main uses of 5-Aminoisoxazole-4-carbonitrile (CAS: 98027-17-9)?

5-Aminoisoxazole-4-carbonitrile (CAS: 98027-17-9) is primarily used as a precursor in the synthesis of various pharmaceuticals and organic compounds. It is also utilized in research for its structural and functional properties.

Is 5-Aminoisoxazole-4-carbonitrile (CAS: 98027-17-9) safe?

5-Aminoisoxazole-4-carbonitrile (CAS: 98027-17-9) is generally safe when handled with appropriate precautions. Users should practice standard safety measures, such as wearing protective gloves and goggles, and ensuring proper ventilation. Storage in a cool, dry place away from incompatible materials is advised.

How should 5-Aminoisoxazole-4-carbonitrile (CAS: 98027-17-9) be stored?

5-Aminoisoxazole-4-carbonitrile (CAS: 98027-17-9) should be stored in a cool, dry place, away from sources of heat and moisture. It should be kept in a tightly sealed container to protect it from light and air exposure. Storage should be in a secure, well-labeled area to prevent accidental exposure or misuse.