ChemicalBook--->CAS DataBase List--->1750-42-1

1750-42-1

1750-42-1 Structure

1750-42-1 Structure
IdentificationMore
[Name]

3-Aminoisoxazole
[CAS]

1750-42-1
[Synonyms]

3-AMINOISOXAZOLE
ISOXAZOL-3-AMINE
3-Aminoisoxazole 95%
3-Amineisoxazole
[EINECS(EC#)]

605-748-7
[Molecular Formula]

C3H4N2O
[MDL Number]

MFCD00038814
[Molecular Weight]

84.08
[MOL File]

1750-42-1.mol
Chemical PropertiesBack Directory
[Appearance]

Clear yellowish liquid
[Melting point ]

148-150 °C(Solv: ethyl ether (60-29-7); ligroine (8032-32-4))
[Boiling point ]

226-228 °C(lit.)
[density ]

1.138 g/mL at 25 °C(lit.)
[refractive index ]

n20/D 1.511(lit.)
[Fp ]

>230 °F
[storage temp. ]

Keep in dark place,Sealed in dry,2-8°C
[form ]

Liquid
[pka]

2.27±0.10(Predicted)
[color ]

Clear yellow
[InChI]

InChI=1S/C3H4N2O/c4-3-1-2-6-5-3/h1-2H,(H2,4,5)
[InChIKey]

RHFWLPWDOYJEAL-UHFFFAOYSA-N
[SMILES]

O1C=CC(N)=N1
[CAS DataBase Reference]

1750-42-1(CAS DataBase Reference)
[Storage Precautions]

Heat sensitive
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
R37/38:Irritating to respiratory system and skin .
R36:Irritating to the eyes.
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
[WGK Germany ]

3
[Hazard Note ]

Irritant
[HS Code ]

29349990
[Storage Class]

10 - Combustible liquids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Ethanol-->Sodium hydroxide-->Thionyl chloride-->Ammonia-->Hydroxylamine hydrochloride-->Phosphorus pentachloride-->Phosphorus pentoxide-->Propiolic Acid-->2,3-Dibromopropionitrile-->Hydroxyurea-->2,3-Dichloropropionitrile-->Propynoic acid amide-->Isoxazole
Hazard InformationBack Directory
[Chemical Properties]

Clear yellowish liquid
[Uses]

3-Aminoisoxazole (isoxazol-3-amine) may be used in the following studies:
  • As a reagent in the synthesis of N-(4-(N-isoxazol-3-ylsulfamoyl)phenyl)acetamide.
  • As a starting material in the synthesis of N-(isoxazol-3-yl)-N′-(carbomethoxy)thiourea.
  • As a starting material in the synthesis of (Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-methoxy-iminoacetic acid, a side-chain of the fourth generation of cephem antibiotics.
[General Description]

3-Aminoisoxazole (isoxazol-3-amine) is a 3-substituted isoxazole derivative. It is a structural isomer of 5-aminoisoxazole.
Spectrum DetailBack Directory
[Spectrum Detail]

3-Aminoisoxazole(1750-42-1)1HNMR
3-Aminoisoxazole(1750-42-1)FT-IR
3-Aminoisoxazole(1750-42-1)IR
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

3-Aminoisoxazole, 95%(1750-42-1)
[Sigma Aldrich]

1750-42-1(sigmaaldrich)
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