이소옥사졸

Isoxazole

HCID 9254

기본 정보

CAS
288-14-2
표준 SMILES
c1cnoc1
InChIKey
CTAPFRYPJLPFDF-UHFFFAOYSA-N
분자식
C3H3NO
평균 분자량
69.06 g/mol
단동위원소 질량
69.02146372

이름 및 식별자

우선 이름
Isoxazole
IUPAC
1,2-oxazole
현지명
이소옥사졸
영어명
Isoxazole
분자식
C3H3NO
분자량
69.06

이름 및 동의어

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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP
0.1
극성 표면적
26 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
2
회전 가능 결합 수
0
무거운 원자 수
5

실험 및 물리화학적 성질

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

물리화학적 성질

녹는점
-67.1 °C · -67.1°C
끓는 점
93 · 93-95 °C(lit.)
밀도
1.078 g/mL · 1.078 g/mL at 25 °C(lit.)
증기 밀도
2.4 · 2.4 (vs air)
굴절률
20 · n20/D 1.427(lit.)
인화점
48 °F · 48 °F

화학적 성질

A colorless liquid resembling pyridine. It is soluble in water at room temperature up to six times its volume.

안전 및 규제

GHS 분류

GHS Classification · 5건

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.

유해성 정보

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%)

규제 정보

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

안전 데이터

wgk
3
tsca
TSCA listed
ridadr
UN 1993 3/PG 2
HS 번호
29349990
risk_code
11
hazard_code
F,Xi

화학 및 산업

용도 및 제조

General Manufacturing InformationIsoxazole: ACTIVE
응용 분야 · 3건

개요Isoxazole, 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.

용도Natural insecticide.

일반 설명Isoxazole(288-14-2) are described as inhibitors of acetylcholinesterase (AChE). Isoxazole ligands bind to and inhibit the Sxc- antiporter.

제조 방법

Isoxazoles 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

공급사100 곳

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]
추가 설명 · 1건

정의ChEBI: 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.

관련 반응

12건

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