3-Hydroxy-2-hydroxymethyl-6-methylpyridine
기본 정보
- CAS
42097-42-7- 표준 SMILES
Cc1ccc(O)c(CO)n1- InChIKey
PAGTXDLKXRBHFL-UHFFFAOYSA-N- 분자식
- C7H9NO2
- 평균 분자량
- 139.15 g/mol
- 단동위원소 질량
- 139.06332853
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 Ų
- 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
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
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
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.
상·하류 제품 정보
상류 원료
하류 제품
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