3-Hydroxy-2-hydroxymethyl-6-methylpyridine (HCID 135128)

개요

2-(Hydroxymethyl)-6-methylpyridin-3-ol is a member of methylpyridines.

이름 및 식별자

우선 이름: 3-Hydroxy-2-hydroxymethyl-6-methylpyridine
IUPAC: 2-(hydroxymethyl)-6-methylpyridin-3-ol
영어명: 3-Hydroxy-6-methyl-2-pyridinemethanol
분자식: C7H9NO2
분자량: 139.15

이름 및 동의어

42097-42-73-Hydroxy-6-methyl-2-pyridinemethanol3-Hydroxy-2-hydroxymethyl-6-methylpyridine53GWV75WPC2-Pyridinemethanol, 3-hydroxy-6-methyl-EINECS 255-657-8DTXSID80194931RefChem:502330DTXCID20117422255-657-82-(hydroxymethyl)-6-methylpyridin-3-olMFCD00006350

이름 더 보기

2,6-LUTIDINE-ALPHA2,3-DIOLTIMTEC-BB SBB0041772,6-Lutidine-α,3-diol2,6-lutidine-α2,3-diol2,6-Lutidine-α2,3-diol2,6-Lutidine-alpha2,3-diol,99%2,6-LUTIDINE-ALPHA-2,3-DIOL 99%2,6-lutidine-alpha(sup 2),3-diol6-methyl-2-methylol-pyridin-3-ol

2-Hydroxymethyl-6-methyl-pyridin-3-ol2-(hydroxymethyl)-6-methyl-3-pyridinol2-(hydroxymethyl)-6-methyl-pyridin-3-ol3-Hydroxy-6-methyl3-Hydroxy-6-methyl-2-pyridine methanolUNII-53GWV75WPCOprea1_5207802,6-Lutidine-?2,3-diol

데이터베이스 식별자

CAS: 42097-42-7
PubChem CID: 135128
DTXSID: DTXSID80194931
ChEMBL: CHEMBL1579537
ChEBI: CHEBI:194822
UNII: 53GWV75WPC
EC Number: 255-657-8
Nikkaji: J278.330D

물성

구조 계산 물성

XLogP: 0.6
극성 표면적: 53.4 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 10
형식 전하: 0
복잡도: 108

실험 및 물리화학적 성질

Solubility>20.9 [ug/mL] (The mean of the results at pH 7.4)

물리화학적 성질

녹는점: 157 · 157-159 °C(lit.)
끓는 점: 255.1 °C · 255.1°C (rough estimate)
밀도: 1.1997 · 1.1997 (rough estimate)
굴절률: 1.48 · 1.4800 (estimate)
저장 조건: Inert atmosphere,Room Temperature
산도 계수 (pKa): 13.79 · 13.79±0.10(Predicted)
물리적 상태: 결정성 분말
색상: 베이지부터 연한 브라운까지
InChI: 1S/C7H9NO2/c1-5-2-3-7(10)6(4-9)8-5/h2-3,9-10H,4H2,1H3
InChIKey: PAGTXDLKXRBHFL-UHFFFAOYSA-N
SMILES: Cc1ccc(O)c(CO)n1

화학적 성질

BEIGE TO LIGHT BROWN CRYSTALLINE POWDER

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/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 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: 3
HS 번호: 29333999
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-37/39
위험 등급: IRRITANT
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 2건

용도2,6-Lutidine-α2,3-diol (3-Hydroxy-6-methyl-2-pyridinemethanol) was used in the synthesis of: (3-hydroxy-6-methylpyridin-2-yl)methyl pivaloatetriflate(3-(allyloxy)-6-methylpyridin-2-yl)methanol

일반 설명2,6-Lutidine-α2,3-diol (3-Hydroxy-6-methyl-2-pyridinemethanol) on condensation with chlorides of carbamidophosphoric acids yields N-Substituted N′-[6-methyl-2-oxido-1,3,2-dioxaphosphinino(5,4,-b)pyridine-2-yl]urea. It forms organotin (IV) complexes on reaction with dimethyl-, diethyl- and dibutyltin (IV) oxide.