옥디아졸

1,3,4-Oxadiazole

HCID 97428CAS 288-99-3

기본 정보

표준 SMILES
c1nnco1
InChIKey
FKASFBLJDCHBNZ-UHFFFAOYSA-N
분자식
C2H2N2O
평균 분자량
70.05 g/mol
단동위원소 질량
70.01671268

개요

structure in first source

이름 및 식별자

우선 이름
1,3,4-Oxadiazole
IUPAC
1,3,4-oxadiazole
현지명
옥디아졸
영어명
1,3,4-oxadiazole
분자식
C2H2N2O
분자량
70.05

이름 및 동의어

1,3,4-Oxadiazole288-99-320O2F20OURNSC-122449DTXSID10182987RefChem:72245DTXCID50105478873-098-3[1,3,4]oxadiazoleOXDIAZOLEMFCD009555351-Oxa-3,4-diazacyclopentadiene
이름 더 보기
옥디아졸
C2H2N2OUNII-20O2F20OUR1,4-OxadiazoleNSC1224491,3,4-oxadiazol1,3,4 oxadiazole1,3,4-furodiazoleSCHEMBL4867

데이터베이스 식별자

CAS
288-99-3
PubChem CID
97428
DTXSID
DTXSID10182987
UNII
20O2F20OUR
EC Number
873-098-3
Nikkaji
J327.198F

물성

구조 계산 물성

XLogP
-0.2
극성 표면적
38.9 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
3
회전 가능 결합 수
0
무거운 원자 수
5

실험 및 물리화학적 성질

Chemical ClassesNitrogen Compounds -> Other Nitrogen Compounds
SpringerMaterials PropertiesSchoenflies notation
Physical DescriptionLiquid; [Merck Index]

물리화학적 성질

끓는 점
121.44 °C · 121.44°C (rough estimate)
밀도
1.2619 · 1.2619 (rough estimate)
굴절률
1.43 · 1.4300 (estimate)
저장 조건
Refrigerator, Under inert atmosphere
용해도
클로로포름, 메탄올(약간)에 용해됨
물리적 상태
기름

안전 및 규제

GHS 분류

GHS Classification · 4건

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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

유해성 정보

Hazards SummaryAn irritant; [Matrix Scientific MSDS]
Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

신호 어
Warning
유해·위험 문구
암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H315

화학 및 산업

응용 분야 · 2건

개요1,3,4-Oxadiazole is a five-membered, conjugated, planar, stable heteroaromatic, comprised of two adjacent nitrogen atoms at the 3,4-positions with one oxygen atom and two vicinal carbon atoms. Each nitrogen atom in the ring is one carbon apart from the oxygen heteroatom. The 1,3,4-oxadiazole ring is electron deficient due to the presence of two pyridine-like nitrogen atoms in the ring and as a result its chemical properties are unlike those of furan as evidenced from the downfield chemical shift of C2(5)H at δ 8.73 ppm (CDCl3) of the parent 1,3,4-oxadiazole. The presence of two electronegative nitrogen atoms deactivates the ring, making electrophilic substitution difficult in the ring at the C2- and C5-positions. From a medicinal chemistry point of view, it is a very important molecule because it is a surrogate of carboxylic acids, esters, and carboxamides and displays a wide spectrum of pharmacological activities.

용도1,3,4-Oxadiazole has therapeutic potential with antibacterial, anti-mycobacterial, antitumor, anti-viral and antioxidant activity.

제조 방법 · 1건

A solution of potassium hydroxide (4 pellets) was made in absolute ethanol (40ml) & poured into a round bottom flask. 10g of prepared hydrazide and 10ml of carbon disulphide was added in the round bottom flask. Condenser was adjusted and allowed to reflux for 6-8 hours. Reaction progress was checked at regular intervals by using TLC procedure with the use of varying ratio of n-hexane & ethyl acetate. As the reaction got completed, 20ml of chilled distilled water and a very small amount of dil. Sulfuric acid (H2SO4) to maintain the pH 2-3 in order to remove un-reacted base. Solid precipitates were obtained on vigorous shaking and filtered. Product was dried, collected &calculated.

상·하류 제품 정보

공급사26 곳

毕佳索(上海毕得医药科技股份有限公司)400-6005915 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
上海凌凯科技股份有限公司58950110 13124863828 · [email protected]
上海相辉医药科技有限公司13761987713; 13761987713 · [email protected]
湖北魏氏化学试剂股份有限公司17771898297 13125137661 · [email protected]

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