Isoxazol

Isoxazole

HCID 9254
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Grundinformationen

CAS
288-14-2
Standard-SMILES
c1cnoc1
InChIKey
CTAPFRYPJLPFDF-UHFFFAOYSA-N
Summenformel
C3H3NO
Durchschnittliche Molmasse
69,06 g/mol
Monoisotopische Masse
69,02146372

Namen und Bezeichner

Bevorzugter Name
Isoxazole
IUPAC
1,2-oxazole
Lokaler Name
Isoxazol
Englischer Name
Isoxazole
Summenformel
C3H3NO
Molmasse
69.06

Namen und Synonyme

ISOXAZOLE288-14-21,2-oxazole1-Oxa-2-azacyclopentadieneIsoxazoles00SRW0M6PWNSC-137774DTXSID7059775CHEBI:35595RefChem:150159DTXCID9037874CHEBI:55373
Weitere Namen anzeigen
IsoxazolIsoxazolecIsoxazole>Isoxazole 99%Isoxazole,99%ISOXAZOLE 98+%Isoxazole, 95%
206-018-7IsooxazoleMFCD00003149UNII-00SRW0M6PW2-azafuranEINECS 206-018-7Isoxazole, 99%NSC 137774

Datenbank-Bezeichner

CAS
288-14-2
PubChem CID
9254
DTXSID
DTXSID7059775
ChEMBL
CHEMBL13257
ChEBI
CHEBI:35595
UNII
00SRW0M6PW
EC Number
206-018-7
Nikkaji
J2.565H

Eigenschaften

Berechnete Struktureigenschaften

XLogP
0,1
Polarare Oberfläche (TPSA)
26 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
2
Frei drehbare Bindungen
0
Schwere Atome
5

Experimentelle und physikochemische Eigenschaften

Vapor Pressure45.5 [mmHg]
Physical DescriptionClear light brown liquid; [Sigma-Aldrich MSDS]
Kovats Retention Index590；590

Physikochemische Eigenschaften

Schmelzpunkt
-67.1 °C · -67.1°C
Siedepunkt
93 · 93-95 °C(lit.)
Dichte
1.078 g/mL · 1.078 g/mL at 25 °C(lit.)
Dampfdichte
2.4 · 2.4 (vs air)
Brechungsindex
20 · n20/D 1.427(lit.)
Flammpunkt
48 °F · 48 °F

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]；H314 (69.5%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H318 (68.9%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

P210, P233, P240, P241, P242, P243, P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 151 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Gefahrenhinweise

Regulatory InformationIsoxazole: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummarySee 3-Amino-5-methylisoxazole.
Hazard Classes and CategoriesFlam. Liq. 2 (100%)；Skin Corr. 1B (69.5%)；Eye Dam. 1 (68.9%)

Regulatorische Informationen

Regulatory InformationIsoxazole: Does not have an individual approval but may be used under an appropriate group standard

Sicherheitsdaten

F
10
wgk
3
tsca
TSCA listed
ridadr
UN 1993 3/PG 2
hs_code
29349990
risk_code
11

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing InformationIsoxazole: ACTIVE
Anwendungen · 2 Einträge

BeschreibungIsoxazole, an important class of heterocycles, is a five membered heterocyclic compound that exhibits various pharmacological actions. It is present in some natural products such as ibotenic acid and is also used as a foundation for several drugs such as the COX-2 inhibitor valdecoxib and anti-inflammatory drugs. Isoxazoles are largely applied in the area of pharmaceuticals and therapeutics, including insecticidal, antibacterial, antibiotic, antitumour, antifungal, antituberculosis, anticancer and ulcerogenic. Besides, it has a great effect on reducing blood glucose, eliminating pain, resisting inflammation, killing harmful bacteria, controlling and reducing the risk of HIV.

VerwendenNatural insecticide.

Darstellung

synthetischeIsoxazoles can be synthesized by various methods, such as the 1,3-dipolar cycloaddition reaction of nitrile oxides with alkynes, the reaction of hydroxylamine with 1,3-diketones or propiolic acid derivatives, etc.www.organic-chemistry.org

Vor- und nachgelagerte Produkte

Anbieter100 Anbieter

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海策嵘生物科技有限公司[email protected]
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
Ergänzende Hinweise · 1 Eintrag

DefinitionChEBI: Isoxazole is a monocyclic heteroarene with a structure consisting of a 5-membered ring containing three carbon atoms and an oxygen and nitrogen atom adjacent to each other. It is the parent of the class of isoxazoles. It is a mancude organic heteromonocyclic parent, a monocyclic heteroarene and a member of isoxazoles.

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