4-피리다이진카르복시산

Pyridazine-4-carboxylic Acid

HCID 2761046

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 50681-25-9
표준 SMILES: O=C(O)c1ccnnc1
InChIKey: JUSIWJONLKBPDU-UHFFFAOYSA-N
분자식: C5H4N2O2
평균 분자량: 124.1 g/mol
단동위원소 질량: 124.02727737

이름 및 식별자

우선 이름: Pyridazine-4-carboxylic Acid
IUPAC: pyridazine-4-carboxylic acid
현지명: 4-피리다이진카르복시산
영어명: 4-Pyridazinecarboxylic acid
분자식: C5H4N2O2
분자량: 124.1

이름 및 동의어

Pyridazine-4-carboxylic Acid50681-25-94-Pyridazinecarboxylic acidDTXSID40375502RefChem:376382DTXCID00326530610-561-9MFCD000115764-CarboxypyridazineSCHEMBL185925CHEMBL394068AKOS005259573

이름 더 보기

4-피리다이진카르복시산pyridazin-4-yl forMatepyridazin-4-carboxylic acidPyridazine-4-carboxylic a...1(2H)-Pyrazinecarboxylic Acid1,2-Diazine-4-carboxylic AcidPyridazine-4-Dicarboxylic Acid

HY-W002066AC-3281PB17054P1907Z11823284434-pyridazinecarboxylicacidBCP22416Pyrzine-4-carboxylic acid

데이터베이스 식별자

CAS: 50681-25-9
PubChem CID: 2761046
DTXSID: DTXSID40375502
ChEMBL: CHEMBL394068
EC Number: 610-561-9
Nikkaji: J293.836G

물성

구조 계산 물성

XLogP: -0.3
극성 표면적: 63.1 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 1
무거운 원자 수: 9
형식 전하: 0
복잡도: 116

물리화학적 성질

녹는점: 244.2 °C · 244.2 °C (dec.) (lit.)
끓는 점: 404.2 · 404.2±18.0 °C(Predicted)
밀도: 1.403 · 1.403±0.06 g/cm3(Predicted)
저장 조건: Sealed in dry,Room Temperature
물리적 상태: powder to crystal
산도 계수 (pKa): 3.18 · 3.18±0.10(Predicted)
색상: 흰색에서 거의 흰색
InChI: InChI=1S/C5H4N2O2/c8-5(9)4-1-2-6-7-3-4/h1-3H,(H,8,9)
InChIKey: JUSIWJONLKBPDU-UHFFFAOYSA-N
SMILES: C1=NN=CC=C1C(O)=O

화학적 성질

Off-white to brown 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 50 reports by companies from 9 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: 29339900
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

용도4-Pyridazinecarboxylic Acid is the pyridazine analog of Nicotinic Acid (N429250). 4-Pyridazinecarboxylic Acid is a glutamate racemase inhibitor. It is also used in characterization study of nicotinic acid receptors in mouse macrophages

일반 설명Surface electrochemical studies of 4-pyridazinecarboxylic acid adsorbed at Pt(111) surfaces by electron energy-loss and Auger spectroscopy has been reported.