2-히드록시-6-메틸피리딘

2-히드록시-6-메틸피리딘 · 6-METHYLPYRIDIN-2(1H)-ONE · 2(1H)-Pyridone, 6-methyl- · 6-Methyl-2(1H)-p · AKOS BBS-00002969 · 6-Methylpyridinone · TIMTEC-BB SBB004345 · 2-Methyl-6-pyridone

https://huagongshe.com/ko/chemical/76772

식별자 및 물리적 특성

CAS No.	3279-76-3
분자식	C6H7NO
평균 분자량	109.13 g/mol
단동위원소 질량	109.05276385 g/mol
SMILES	Cc1cccc(=O)[nH]1
InChIKey	JEAVIRYCMBDJIU-UHFFFAOYSA-N
PubChem CID	76772
EC No.	221-919-5
DTXSID	DTXSID40954452
현지명	2-히드록시-6-메틸피리딘

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	8
형식 전하	0
복잡도	167
녹는점	157-159 °C (lit.)
끓는 점	131-133C
밀도	1.1143 (rough estimate)
굴절률	1.5040 (estimate)
저장 조건	Sealed in dry,Room Temperature
물리적 상태	결정성 분말
pKa(산도 계수)	12.12±0.10(Predicted)
색상	흰색에서 크림색으로
BRN	107073
InChI	InChI=1S/C6H7NO/c1-5-3-2-4-6(8)7-5/h2-4H,1H3,(H,7,8)
InChIKey	JEAVIRYCMBDJIU-UHFFFAOYSA-N
SMILES	C1(=O)NC(C)=CC=C1
NIST	2(1H)-Pyridinone, 6-methyl-(3279-76-3)

화학적 성질

white to cream-colored crystalline powder

안전 및 규제

GHS 분류	This chemical does not meet GHS hazard criteria for 2.1% (1 of 47) of reports.WarningH315 (97.9%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (97.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (95.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory 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 47 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Reported as not meeting GHS hazard criteria per 1 of 47 reports by companies.There are 6 notifications provided by 46 of 47 reports by companies with hazard statement code(s).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.
Hazard Classes and Categories	Skin Irrit. 2 (97.9%)Eye Irrit. 2 (97.9%)STOT SE 3 (95.7%)
수질 위해 등급(WGK)	3
관세 코드	29333999
위험 문구(R)	36/37/38-40
위험 표시	Xi,Xn
안전 문구(S)	26-36-22
위험 등급	IRRITANTEye Irrit. 2Skin Irrit. 2STOT SE 3
F 고인화성물질	10
저장 분류	11 - Combustible Solids

용도

일반 설명

2-Hydroxy-6-methylpyridine reacts with carboxylic acids RCOOH to give an equilibrium mixture of products M(2)(O(2)CR)(n)(mhp)(4-n) where R = 2-thienyl and phenyl. mhp is the anion formed from deprotonation of 2-hydroxy-6-methylpyridine.