CAS 626-03-9 4-Hydroxy-2(1H)-pyridinone (HCID 54696004)

개요

2,4-Dihydroxypyridine is a pyridone.

이름 및 식별자

우선 이름: 4-Hydroxy-2(1H)-pyridinone
IUPAC: 4-hydroxy-1H-pyridin-2-one
영어명: 2,4-Dihydroxypyridine
분자식: C5H5NO2
분자량: 111.1

이름 및 동의어

2,4-DIHYDROXYPYRIDINE626-03-92(1H)-Pyridinone, 4-hydroxy-4-Hydroxy-2(1H)-pyridinone2(1H)-Pyridone, 4-hydroxy-DTXSID90274238NSC-37839NSC-119859RefChem:443658DTXCID90196623pyridine-2,4-diol4-Hydroxypyridin-2(1H)-one

이름 더 보기

Dihydroxypyridine4-diolNSC 37839NSC 1198592,4-Pridinediol4,6-Pyridinediol

84719-31-32,4-Pyridinediol3-Deazauracil4-Hydroxy-2-pyridone4-hydroxy-1h-pyridin-2-one2-hydroxy-1H-pyridin-4-one2-hydroxypyridin-4(1H)-onePyridine-24-diol

데이터베이스 식별자

CAS: 626-03-9、84719-31-3
PubChem CID: 54696004
DTXSID: DTXSID90274238
ChEBI: CHEBI:182025
UNII: LQ01OR5OK4
EC Number: 210-924-8
Nikkaji: J135.087K、J552.026F

물성

구조 계산 물성

XLogP: -0.4
극성 표면적: 49.3 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 2
회전 가능 결합 수: 0
무거운 원자 수: 8
형식 전하: 0
복잡도: 169

실험 및 물리화학적 성질

Collision Cross Section119.5 Å² [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: APCI+; Dataset: TOXCAST; Source Identifier: DTXSID90274238]

물리화학적 성질

녹는점: 272 · 272-276 °C (lit.)
끓는 점: 208.19 °C · 208.19°C (rough estimate)
밀도: 1.3113 · 1.3113 (rough estimate)
굴절률: 1.426 · 1.4260 (estimate)
저장 조건: Inert atmosphere,Room Temperature
용해도: DMSO및메탄올에 용해됨
산도 계수 (pKa): 1 · pK1:1.37(+1);pK2:6.45(0);pK3:13(+1) (20°C)
물리적 상태: 가루
색상: 연노랑
수용성: 6.211 g/L · 6.211g/L(20℃)
BRN: 108533 · 108533
InChI: InChI=1S/C5H5NO2/c7-4-1-2-6-5(8)3-4/h1-3H,(H2,6,7,8)
InChIKey: ZEZJPIDPVXJEME-UHFFFAOYSA-N
SMILES: C1(=O)NC=CC(O)=C1

화학적 성질

white to yellow-beige crystals or cryst. 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 48 reports by companies from 8 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
rtecs: UV1146800
HS 번호: 29339900
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36-37/39
위험 등급: IRRITANT
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 3건

개요2,4-Dihydroxypyridine belongs to the class of organic compounds known as pyridinones. Pyridinones are compounds containing a pyridine ring, which bears a ketone. This compound has been identified in human blood. 2,4-dihydroxypyridine is not a naturally occurring metabolite and is only found in those individuals exposed to this compound or its derivatives. Technically 2,4-Dihydroxypyridine is part of the human exposome. The exposome can be defined as the collection of all the exposures of an individual in a lifetime and how those exposures relate to health. An individual's exposure begins before birth and includes insults from environmental and occupational sources.

용도2,4-Dihydroxypyridine (3-deazauracil) was used in the synthesis of diazaphenoxathiin skeleton.

일반 설명2,4-Dihydroxypyridine (3-deazauracil) is a potent inhibitor of dihydrouracil dehydrogenase.