1-페닐-4,5-디클로로-6-피리다존

4,5-Dichloro-2-phenyl-3(2H)-pyridazinone

HCID 72813CAS 1698-53-9

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: O=c1c(Cl)c(Cl)cnn1-c1ccccc1
InChIKey: VKWCOHVAHQOJGU-UHFFFAOYSA-N
분자식: C10H6Cl2N2O
평균 분자량: 241.07 g/mol
단동위원소 질량: 239.98571817

이름 및 식별자

우선 이름: 4,5-Dichloro-2-phenyl-3(2H)-pyridazinone
IUPAC: 4,5-dichloro-2-phenylpyridazin-3-one
현지명: 1-페닐-4,5-디클로로-6-피리다존
영어명: 1-PHENYL-4,5-DICHLORO-6-PYRIDAZONE
분자식: C10H6Cl2N2O
분자량: 241.07

이름 및 동의어

1698-53-94,5-Dichloro-2-phenyl-3(2H)-pyridazinone2-Phenyl-4,5-dichloro-3-pyridazinoneN78AH78WRVNSC-224369NSC-642642DTXSID60168751RefChem:478069DTXCID3091242216-917-64,5-dichloro-2-phenylpyridazin-3(2H)-one1-Phenyl-4,5-dichloro-6-pyridazone

이름 더 보기

1-페닐-4,5-디클로로-6-피리다존1-Phenyl-4AKOS B029234AURORA KA-446OTAVA-BB BB01286300375-dichloro-6-pyridazone1-Phenyl-4,5-dichloro-6-pyridazine1-PHENYL-4,5-DICHLORO-5-PYRIDAZONE,5-Dichloro-1-phenyl-6-pyridazone.

4,5-Dichloro-2-phenylpyridazin-3-one3(2H)-Pyridazinone, 4,5-dichloro-2-phenyl-MFCD000064704,5-dichloro-2-phenyl-2,3-dihydropyridazin-3-one4,5-Dichloro-2,3-dihydro-2-phenylpyridazin-3-one1-Fenyl-4,5-dichlor-6-pyridazinon4,5-Dichloro-2-phenyl-pyridazin-3-one2-phenyl-4,5-dichloro-3(2H)-pyridazinone

데이터베이스 식별자

CAS: 1698-53-9
PubChem CID: 72813
DTXSID: DTXSID60168751
ChEMBL: CHEMBL610198
UNII: N78AH78WRV
EC Number: 216-917-6
Nikkaji: J1.774D

물성

구조 계산 물성

XLogP: 2.1
극성 표면적: 32.7 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 15
형식 전하: 0
복잡도: 332

실험 및 물리화학적 성질

SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy

물리화학적 성질

녹는점: 164 · 164-166 °C (lit.)
끓는 점: 307 · 307.0±52.0 °C(Predicted)
밀도: 1.4887 · 1.4887 (rough estimate)
굴절률: 1.55 · 1.5500 (estimate)
저장 조건: Sealed in dry,Room Temperature
산도 계수 (pKa): -3.44 · -3.44±0.60(Predicted)
물리적 상태: 결정성 분말
색상: 라이트 베이지
InChI: 1S/C10H6Cl2N2O/c11-8-6-13-14(10(15)9(8)12)7-4-2-1-3-5-7/h1-6H
InChIKey: VKWCOHVAHQOJGU-UHFFFAOYSA-N
SMILES: ClC1=C(Cl)C(=O)N(N=C1)c2ccccc2

화학적 성질

light beige crystalline 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 41 reports by companies from 4 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: 2
rtecs: UR6200000
HS 번호: 29339980
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-37/39
위험 참고 사항: Irritant
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도1-Phenyl-4,5-dichloro-6-pyridazone is part of a group of arylated pyridazin-3(2H)-one compounds that act as anti-cancer agents. 1-Phenyl-4,5-dichloro-6-pyridazone also has herbicidal activity.