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기본 정보
- CAS
207511-18-0- 표준 SMILES
COc1cc[n+]([O-])cc1.O- InChIKey
ABJMARLKAXBQBC-UHFFFAOYSA-N- 분자식
- C6H9NO3
- 평균 분자량
- 143.14 g/mol
- 단동위원소 질량
- 143.05824315
이름 및 식별자
- 우선 이름
- 4-Methoxypyridine N-oxide hydrate
- IUPAC
- 4-methoxy-1-oxidopyridin-1-ium;hydrate
- 영어명
- 4-METHOXYPYRIDINE-N-OXIDE HYDRATE, 99
- 분자식
- C6H9NO3
- 분자량
- 143.14
이름 및 동의어
4-Methoxypyridine N-oxide hydrate207511-18-0RefChem:524830624-551-74-Methoxypyridine 1-oxide xhydrate4-Methoxypyridine-N-oxide hydrateMFCD001494104-METHOXYPYRIDINE-N-OXIDE HYDRATE, 994-Methoxypyridine 1-oxide hydrate4-methoxy-1-oxidopyridin-1-ium;hydrateSCHEMBL6656934-MethoxypyridineN-oxidehydrate
이름 더 보기
4-Methoxypyridine NN-oxide hydrate4-Methoxypyridine-N-oxide hydrate, 99% 5GRPyridine, 4-methoxy-, 1-oxide, hydrate (1:?)
4-Methoxypyridine-1-oxide hydrate304671-95-24-Methoxypyridine N-oxide hydrate, 97%4-methoxypyridin-1-ol, hydrateABJMARLKAXBQBC-UHFFFAOYSA-N[4-(Dimethylamino)phenyl]diphenylphos4-Methoxypyridine-N-oxide hydrate,99AKOS017344619
데이터베이스 식별자
- CAS
207511-18-0- PubChem CID
- 16212293
- EC Number
- 624-551-7
물성
구조 계산 물성보충 중
- 극성 표면적
- 35.7 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 10
- 형식 전하
- 0
- 복잡도
- 79
물리화학적 성질
- 녹는점
- 78 · 78-81°C
- 물리적 상태
- solid
- 수용성
- 물에 용해됩니다.
- BRN
- 115212 · 115212
- InChI
- InChI=1S/C6H7NO2.H2O/c1-9-6-2-4-7(8)5-3-6;/h2-5H,1H3;1H2
- InChIKey
- ABJMARLKAXBQBC-UHFFFAOYSA-N
- SMILES
- O(C1=CC=N(=O)C=C1)C.O
화학적 성질
light beige to orange crystalline powder
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 42 reports by companies from 2 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
Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)
안전 데이터
- wgk
- 3
- HS 번호
- 29333999
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-37/39
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
응용 분야
용도4-Methoxypyridine N-oxide hydrate may be used in chemical synthesis.
일반 설명4-Methoxypyridine N-oxide hydrate is a substituted pyridine N-oxide. It forms 1:1 complexes with MnCl2 and NiCl2 salts. Mechanism of reaction between 4-methoxypyridine N-oxide hydrate and bis(pinacolato) (diboron reagent) in CD3CN has been studied by NMR. It forms 1:1 complex with 2,4-dinitrophenol due to the formation of intermolecular hydrogen bond between the O-H and N-O groups.
공급사43 곳
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