2-히드록시피리딘-3-카르복시산

2-Hydroxynicotinic acid

HCID 69114CAS 609-71-2

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: O=C(O)c1ccc[nH]c1=O
InChIKey: UEYQJQVBUVAELZ-UHFFFAOYSA-N
분자식: C6H5NO3
평균 분자량: 139.11 g/mol
단동위원소 질량: 139.02694302

개요

2-Hydroxynicotinic acid is a member of pyridines and an aromatic carboxylic acid.

이름 및 식별자

우선 이름: 2-Hydroxynicotinic acid
IUPAC: 2-oxo-1H-pyridine-3-carboxylic acid
현지명: 2-히드록시피리딘-3-카르복시산
영어명: 2-Hydroxynicotinic acid
분자식: C6H5NO3
분자량: 139.11

이름 및 동의어

2-Hydroxynicotinic acid609-71-22-Hydroxypyridine-3-carboxylic acid1,2-Dihydro-2-oxonicotinic acid1,2-Dihydro-2-oxo-3-pyridinecarboxylic acidTMQ68Q9BA3NSC-226152DTXSID20209735RefChem:473477DTXCID70132226210-198-22-oxo-1,2-dihydropyridine-3-carboxylic acid

이름 더 보기

2-히드록시피리딘-3-카르복시산2-하이드록시니코틴산Hydroxynicotinic acid2-Hydroxy acid2 - hydroxy niacin2-HydroxynicotinicTIMTEC-BB SBB0041802-Hydroxynicotinic a

2-oxo-1H-pyridine-3-carboxylic acidMFCD000101002-hydroxy nicotinic acid3-Pyridinecarboxylic acid, 1,2-dihydro-2-oxo-2-hydroxy-3-carboxypyridineNSC 226152949734-25-23-carboxy-2-pyridone

데이터베이스 식별자

CAS: 609-71-2
PubChem CID: 69114
DTXSID: DTXSID20209735
ChEMBL: CHEMBL53297
ChEBI: CHEBI:166572
UNII: TMQ68Q9BA3
EC Number: 210-198-2
Nikkaji: J94.850K

물성

구조 계산 물성

XLogP: 0.5
극성 표면적: 66.4 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 10
형식 전하: 0
복잡도: 239

실험 및 물리화학적 성질

Physical DescriptionSolid

물리화학적 성질

녹는점: 258 · 258-261 °C(lit.)
끓는 점: 255.04 °C · 255.04°C (rough estimate)
밀도: 1.4429 · 1.4429 (rough estimate)
굴절률: 1.5423 · 1.5423 (estimate)
저장 조건: Inert atmosphere,Room Temperature
용해도: 0.1 M · 0.1M NaOH: 0.1 g/mL, 투명
산도 계수 (pKa): 2.4 · 2.40±0.20(Predicted)
물리적 상태: 가루
색상: 흰색에서 밝은 노란색
BRN: 119028 · 119028
InChI: InChI=1S/C6H5NO3/c8-5-4(6(9)10)2-1-3-7-5/h1-3H,(H,7,8)(H,9,10)
InChIKey: UEYQJQVBUVAELZ-UHFFFAOYSA-N
SMILES: C1(=O)NC=CC=C1C(O)=O

화학적 성질

White to light yellow 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 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information3-Pyridinecarboxylic acid, 1,2-dihydro-2-oxo-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: 3
HS 번호: 29333990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36-37/39
위험 등급: IRRITANT
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

상·하류 제품 정보

상류 원료

하류 제품

5-Bromo-2-chloronicotinic acid 2,5-Dichloronicotinic acid 2-Hydroxy-5-nitronicotinic acid 5-AMINO-2-CHLORO-NICOTINIC ACID 2-Chloro-5-nitronicotinic acid METHYL 5-BROMO-2-OXO-1,2-DIHYDRO-3-PYRIDINECARBOXYLATE 6-히드록시피리딘-3-카르복시산

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

衢州润东化工有限公司0570-8789886 18892685668 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]

추가 설명 · 1건

정의ChEBI: 2-Hydroxynicotinic acid is a member of pyridines and an aromatic carboxylic acid. It is a derivative of nicotinic acid, was found to exist in four polymorphs. It is used as a growth factor in Erwinia amylovora growth (pear and apple blossoms).

연결된 노트

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