2-히드록시-6-메틸피리딘

6-Methylpyridin-2-ol

HCID 76772

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 3279-76-3
표준 SMILES: Cc1cccc(=O)[nH]1
InChIKey: JEAVIRYCMBDJIU-UHFFFAOYSA-N
분자식: C6H7NO
평균 분자량: 109.13 g/mol
단동위원소 질량: 109.05276385

이름 및 식별자

우선 이름: 6-Methylpyridin-2-ol
IUPAC: 6-methyl-1H-pyridin-2-one
현지명: 2-히드록시-6-메틸피리딘
영어명: 2-Hydroxy-6-methylpyridine
분자식: C6H7NO
분자량: 109.13

이름 및 동의어

6-Methylpyridin-2-ol2(1H)-Pyridinone, 6-methyl-6-MethylpyridinoneTN77J7TM32EINECS 221-919-5NSC 75619NSC-75619DTXSID40954452RefChem:544032DTXCID701256528221-919-52-Hydroxy-6-methylpyridine

이름 더 보기

2-히드록시-6-메틸피리딘2(1H)-Pyridone, 6-methyl-6-Methyl-2(1H)-pAKOS BBS-00002969TIMTEC-BB SBB0043452-Methyl-6-pyridone6-Methyl-2H-pyridone6-Hydroxy-α-picoline

3279-76-36-methylpyridin-2(1H)-one91914-07-76-Methyl-2-pyridinol6-methyl-1H-pyridin-2-one6-Methyl-2-pyridone6-Methyl-2-pyridinone6-Methyl-2-hydroxypyridine

데이터베이스 식별자

CAS: 3279-76-3、73229-70-6
PubChem CID: 76772
DTXSID: DTXSID40954452
UNII: TN77J7TM32
EC Number: 221-919-5
Nikkaji: J110.371G

물성

구조 계산 물성

XLogP: 0.6
극성 표면적: 29.1 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 0
무거운 원자 수: 8
형식 전하: 0
복잡도: 167

물리화학적 성질

녹는점: 157 · 157-159 °C (lit.)
끓는 점: 131 · 131-133C
밀도: 1.1143 · 1.1143 (rough estimate)
굴절률: 1.504 · 1.5040 (estimate)
저장 조건: Sealed in dry,Room Temperature
물리적 상태: 결정성 분말
산도 계수 (pKa): 12.12 · 12.12±0.10(Predicted)
색상: 흰색에서 크림색으로
BRN: 107073 · 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 · 2(1H)-Pyridinone, 6-methyl-(3279-76-3)

화학적 성질

white to cream-colored crystalline powder

안전 및 규제

GHS 분류

GHS Classification · 6건

This chemical does not meet GHS hazard criteria for 2.1% (1 of 47) of reports.

Warning

H315 (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 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 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.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (97.9%)；Eye Irrit. 2 (97.9%)；STOT SE 3 (95.7%)

안전 데이터

wgk: 3
HS 번호: 29333999
risk_code: 36/37/38-40
hazard_code: Xi,Xn
safety_code: 26-36-22
위험 등급: IRRITANT
F 고인화성물질: 10
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

일반 설명2-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.