2-히드록시피리딘

2-하이드록시피리딘 · 2-히드록시피리딘 · Pyridin-2(1H)-one · 2-PYRIDONE · 2(1h)-pyridinone · 2-Pyridinol · Pyridin-2-one · Pyridinone

식별자 및 물리적 특성

CAS No.	142-08-5
분자식	C5H5NO
평균 분자량	95.1 g/mol
단동위원소 질량	95.03711378 g/mol
SMILES	O=c1cccc[nH]1
InChIKey	UBQKCCHYAOITMY-UHFFFAOYSA-N
PubChem CID	8871
ChEMBL	CHEMBL662
ChEBI	CHEBI:16540
EC No.	205-520-3
DTXSID	DTXSID2051716
현지명	2-히드록시피리딘

화학 및 물리적 성질

XLogP	-0.6
극성 표면적	29.1
수소 결합 공여자 수	1
수소 결합 수용자 수	1
회전 가능 결합 수	0
무거운 원자 수	7
형식 전하	0
복잡도	135
물질 분류	Nitrogen Compounds -> Pyridines
향미제	EU Flavoring substances
용해도	1000 mg/mL at 20 °C450g/L
녹는점	107.8 °C105-107 °C (lit.)
증기압	0.55 [mmHg]
Physical Description	Off-white crystalline powder, soluble in water[MSDSonline]Solid
Collision Cross Section	115.5 Å² [M+H]+ [CCS Type: DTBuffer gas: N2Ionization: ESI+Dataset: TOXCASTSource Identifier: DTXSID2051716]115.2 Å² [M+H]+ [CCS Type: DTMethod: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]
끓는 점	280-281 °C (lit.)
밀도	1.39
굴절률	1.5939 (estimate)
인화점	210 °C
저장 조건	Sealed in dry,Room Temperature
pKa(산도 계수)	0.75(at 20℃)
물리적 상태	액체
색상	무색~황색~갈색, 보관 시 순도 손실 없이 어두워집니다.
용해도	물 450g/L @ 20°C 및 에탄올에 용해되며 벤젠과 에테르에는 약간 용해됩니다.
BRN	105786
InChI	1S/C5H5NO/c7-5-3-1-2-4-6-5/h1-4H,(H,6,7)
InChIKey	UBQKCCHYAOITMY-UHFFFAOYSA-N
SMILES	Oc1ccccn1
LogP(분배 계수)	-0.593 (est)
NIST	2(1H)-Pyridinone(142-08-5)
EPA	2(1H)-Pyridinone (142-08-5)

화학적 성질

white to light yellow crystal

안전 및 규제

GHS 분류	This chemical does not meet GHS hazard criteria for 41.7% (78 of 187) of reports.DangerH301 (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.
규제 정보	Chemical: 2(1H)-PyridinoneCommission Regulation (EC) No 1565/2000 (Repealed by Com.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 standard2-Pyridinol: Does not have an individual approval but may be used under an appropriate group standard
기타 안전 정보	Evaluation - Chemicals that are unlikely to require further regulation to manage risks to environment
유해성 요약	A skin, eye, and respiratory tract irritant[MSDSonline] Pyridine compounds are potential CNS depressants[Ullmann] See Pyridine.
Hazard Classes and Categories	Acute Tox. 3 (57.8%)
유해 작용	Neurotoxin - Other CNS neurotoxin
수질 위해 등급(WGK)	3
TSCA 등재 상태	TSCA listed
RTECS 번호	UV1144050
운송 번호(UN)	UN2811
독성	LD50 ipr-mus: 410 mg/kg TOXIA6 23,815,85
관세 코드	29333990
위험 문구(R)	36/37/38-40-25
위험 표시	Xi,Xn,T
안전 문구(S)	26-36-37/39-22-45-36/37/39

용도

2-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 설명

2-Hydroxypyridine, an enolic tautomer of 2-pyridone, belongs to the class of volatile organic compounds (VOCs).