2-히드록시피리딘
2-Pyridone
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기본 정보
- CAS
142-08-5- 표준 SMILES
O=c1cccc[nH]1- InChIKey
UBQKCCHYAOITMY-UHFFFAOYSA-N- 분자식
- C5H5NO
- 평균 분자량
- 95.1 g/mol
- 단동위원소 질량
- 95.03711378
개요
Pyridin-2-ol is a monohydroxypyridine that is pyridine substituted by a hydroxy group at position 2. It has a role as a plant metabolite.
이름 및 식별자
- 우선 이름
- 2-Pyridone
- IUPAC
- 1H-pyridin-2-one
- 현지명
- 2-히드록시피리딘
- 영어명
- 2-Hydroxypyridine
- 분자식
- C5H5NO
- 분자량
- 95.1
이름 및 동의어
2-HYDROXYPYRIDINE142-08-52-Pyridone2(1H)-Pyridinone2-Pyridinone2(1H)-Pyridone2(lH)-PyridinoneDTXSID20517166770O3A2I5NSC-172522DTXCID2030271RefChem:473508
이름 더 보기
2-하이드록시피리딘2-히드록시피리딘Pyridin-2-oneα-Pyridone
205-520-3Pyridin-2-ol2-Pyridinolpyridin-2(1H)-one72762-00-61H-pyridin-2-onePyridinonealpha-Pyridone
데이터베이스 식별자
- CAS
142-08-5、66396-89-2、72762-00-6- PubChem CID
- 8871
- DTXSID
DTXSID2051716- ChEMBL
CHEMBL662- ChEBI
CHEBI:16540- UNII
- 6770O3A2I5
- EC Number
- 205-520-3、276-824-1
- Nikkaji
- J13.556I
물성
구조 계산 물성보충 중
- XLogP
- -0.6
- 극성 표면적
- 29.1 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 7
- 형식 전하
- 0
- 복잡도
- 135
실험 및 물리화학적 성질
Chemical ClassesNitrogen Compounds -> Pyridines
Flavoring AgentsEU Flavoring substances
Solubility1000 mg/mL at 20 °C
Melting Point107.8 °C
Vapor Pressure0.55 [mmHg]
Physical Description
Off-white crystalline powder, soluble in water; [MSDSonline]
Solid
Collision Cross Section
115.5 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID2051716]
115.2 Ų [M+H]+ [CCS Type: DT; Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]
115.5 Ų [M+H]+
물리화학적 성질
- 녹는점
- 107.8 °C · 107.8 °C (226.0 °F; 380.9 K)
- 끓는 점
- 280 °C · 280 °C (536 °F; 553 K) decomp.
- 밀도
- 1.39 g/cm3 · 1.39 g/cm3
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 41.7% (78 of 187) of reports.
Danger
H301 (57.8%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 187 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Chemical: 2(1H)-Pyridinone
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
2(1H)-Pyridinone: Does not have an individual approval but may be used under an appropriate group standard
2-Pyridinol: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to environment
Hazards SummaryA skin, eye, and respiratory tract irritant; [MSDSonline] Pyridine compounds are potential CNS depressants; [Ullmann] See Pyridine.
Hazard Classes and CategoriesAcute Tox. 3 (57.8%)
독성 정보
Adverse EffectsNeurotoxin - Other CNS neurotoxin
안전 데이터
- wgk
화학 및 산업
용도 및 제조
UsesDrug / Therapeutic Agent; [ChemIDplus]
General Manufacturing Information2(1H)-Pyridinone: ACTIVE
응용 분야
용도2-Hydroxypyridine is a bifunctional catalyst for a wide variety of acylation reactions, catalyst for generating β-oxopropyl carbonates from cyclic carbonates and alcohols and in the aminolysis of a polyglutamate. It is used in peptide synthesis.
일반 설명2-Hydroxypyridine, an enolic tautomer of 2-pyridone, belongs to the class of volatile organic compounds (VOCs).
상·하류 제품 정보
상류 원료
하류 제품
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