3-Isoxazolamine

HCID 1810216CAS 147815-03-0
Substructure searchFind similar structures

Basic information

Standard SMILES
Nc1ccon1
InChIKey
RHFWLPWDOYJEAL-UHFFFAOYSA-N
Molecular formula
C3H4N2O
Average molar mass
84.08 g/mol
Monoisotopic mass
84.03236275

Names & identifiers

Preferred name
3-Isoxazolamine
IUPAC
1,2-oxazol-3-amine
English name
3-Aminoisoxazole
Molecular formula
C3H4N2O
Molecular weight
84.08

Names & synonyms

3-Aminoisoxazole1750-42-13-IsoxazolamineDTXSID701024771RefChem:502890DTXCID9086300605-748-7Isoxazol-3-amine1,2-oxazol-3-amineaminoisoxazoleIsoxazolamineamino-isoxazole
Show more names
3-Amineisoxazoleisoxazol-3-ylamine3-Aminoisoxazole,95%3-Aminoisoxazole 95%3-IsoxazolaMine, >95%
3-Amino-1,2-oxazole3-aminoisoxazol3-isoxazolylamineMFCD00038814147815-03-01,2-oxazole-3-amineAC-025HY-W007329

Database identifiers

CAS
147815-03-0、1750-42-1
PubChem CID
1810216
DTXSID
DTXSID701024771
EC Number
605-748-7
Nikkaji
J37.306K

Properties

Computed structural properties

XLogP
0
Topological polar surface area
52.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
0
Heavy atoms
6

Physicochemical properties

Melting point
148 · 148-150 °C(Solv: ethyl ether (60-29-7); ligroine (8032-32-4))
Boiling point
226 · 226-228 °C(lit.)
Density
1.138 g/mL · 1.138 g/mL at 25 °C(lit.)
refractive index
20 · n20/D 1.511(lit.)
Flash point
230 °F · >230 °F
storage temp.
2 · 2-8°C(protect from light)

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 46 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)
CSL Reaction Information · 6 items

CSL00142

3-AMINOISOXAZOLE

3-aminoisoxazole can decompose explosively.

N-O bond

S (up to 1g)

Heating the compound in the ARC led to a thermal runaway with a sudden increase in pressure. Onset temperature was 186 degrees C.

Safety data

PPE
Eyeshields, Gloves, type ABEK (EN14387) respirator filter
wgk
3
hs_code
29349990
risk_code
36/37/38-37/38-36
Signal word
Warning
Symbol(GHS)
GHS07

Chemistry & industry

Applications · 2 items

Uses3-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 Description3-Aminoisoxazole (isoxazol-3-amine) is a 3-substituted isoxazole derivative. It is a structural isomer of 5-aminoisoxazole.

Upstream & downstream products

Suppliers50 total

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
上海策嵘生物科技有限公司[email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

Related reactions

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Linked notes

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