3-Phenyl-6-pyridazone

HCID 75106CAS 2166-31-6

기본 정보

표준 SMILES: O=c1ccc(-c2ccccc2)n[nH]1
InChIKey: IJUIPRDMWWBTTQ-UHFFFAOYSA-N
분자식: C10H8N2O
평균 분자량: 172.18 g/mol
단동위원소 질량: 172.06366288

이름 및 식별자

우선 이름: 3-Phenyl-6-pyridazone
IUPAC: 3-phenyl-1H-pyridazin-6-one
영어명: 6-Phenyl-3(2H)-pyridazinone
분자식: C10H8N2O
분자량: 172.18

이름 및 동의어

6-Phenylpyridazin-3(2H)-one2166-31-66-Phenyl-3(2H)-pyridazinone6-Phenyl-2H-pyridazin-3-one3(2H)-Pyridazinone, 6-phenyl-3-Phenyl-6-pyridazone6-phenyl-3-pyridazinone4XCL934PMPNSC-13399DTXSID10176043NSC 13399RefChem:198392

이름 더 보기

IFLAB-BB F0921-70143-Phenyl-6-pyridazinone6-Phenyl-3(2H)-pyridazinone>6-Phenyl-3(2H)-pyridazinone

DTXCID20985346-phenylpyridazin-3-ol3-phenyl-1H-pyridazin-6-one6-phenyl-2,3-dihydropyridazin-3-oneMFCD00114953NSC133993-Hydroxy-6-phenylpyridazineSCHEMBL482059

데이터베이스 식별자

CAS: 2166-31-6
PubChem CID: 75106
DTXSID: DTXSID10176043
ChEMBL: CHEMBL1536043
UNII: 4XCL934PMP
EC Number: 218-505-1
Nikkaji: J299.135G

물성

구조 계산 물성

XLogP: 1.3
극성 표면적: 41.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 13
형식 전하: 0
복잡도: 262

물리화학적 성질

녹는점: 201 · 201-204 °C(lit.)
밀도: 1.2 · 1.20±0.1 g/cm3(Predicted)
저장 조건: Sealed in dry,Room Temperature
물리적 상태: powder to crystal
산도 계수 (pKa): 11.05 · 11.05±0.40(Predicted)
색상: 흰색에서 밝은 노란색
InChI: InChI=1S/C10H8N2O/c13-10-7-6-9(11-12-10)8-4-2-1-3-5-8/h1-7H,(H,12,13)
InChIKey: IJUIPRDMWWBTTQ-UHFFFAOYSA-N
SMILES: C1(=O)NN=C(C2=CC=CC=C2)C=C1

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 42 reports by companies from 5 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: 2933998090
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
위험 등급: IRRITANT
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 1건

일반 설명6-Phenyl-3(2H)-pyridazinone is a pyridazinone derivative that can be prepared from 4,5- dihydro-6-phenyl-3(2H)-pyridazinone. It is reported to be a weak positive inotropic agent. 6-Phenyl-3(2H)-pyridazinone forms the core of compounds that show a potential antiplatelet activity.