4,5-디클로로-메틸피리다진-2-온

3(2H)-Pyridazinone, 4,5-dichloro-2-methyl-

HCID 120462

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 933-76-6
표준 SMILES: Cn1ncc(Cl)c(Cl)c1=O
InChIKey: ACKBTCUMGAHRIE-UHFFFAOYSA-N
분자식: C5H4Cl2N2O
평균 분자량: 179 g/mol
단동위원소 질량: 177.97006811

개요

4,5-Dichloro-2-methyl-3(2H)-pyridazinone is a pyridazinone.

이름 및 식별자

우선 이름: 3(2H)-Pyridazinone, 4,5-dichloro-2-methyl-
IUPAC: 4,5-dichloro-2-methylpyridazin-3-one
현지명: 4,5-디클로로-메틸피리다진-2-온
영어명: 4,5-Dichloro-2-methylpyridazin-3-one
분자식: C5H4Cl2N2O
분자량: 179

이름 및 동의어

933-76-64,5-Dichloro-2-methyl-3(2H)-pyridazinone3(2H)-Pyridazinone, 4,5-dichloro-2-methyl-BRN 0127609DTXSID802393765-24-02-00023 (Beilstein Handbook Reference)RefChem:484774DTXCID00161867628-178-04,5-dichloro-2-methylpyridazin-3(2h)-one4,5-Dichloro-2-methylpyridazin-3-oneMFCD00051686

이름 더 보기

4,5-디클로로-메틸피리다진-2-온AKOS B029262Emorfazone int4,5-dichloro-2-methylpyridazine-3-one5-Dichloro-2-Methyl-3(2H)-pyridazinone5-Dichloro-2-methylpyridazin-3(2H)-one4,5-dichloro-2-methyl-3(2h)-pyridazinon

4,5-DICHLORO-2-METHYL-2,3-DIHYDROPYRIDAZIN-3-ONE4,5-Dichloro-2-methyl-2H-pyridazin-3-one2-Methyl-4,5-dichloro-3-pyridazinone4,5-dichloro-2-methyl-2-hydropyridazin-3-one2-Methyl-4,5-dichloro-3(2H)-pyridazinon; 4,5-Dichloro-2-methyl-2H-pyridazin-3-one4,5-dichloro-2-methyl-pyridazin-3-oneA1ENESCHEMBL979278

데이터베이스 식별자

CAS: 933-76-6
PubChem CID: 120462
DTXSID: DTXSID80239376
ChEMBL: CHEMBL3228742
ChEBI: CHEBI:194728
EC Number: 628-178-0
Nikkaji: J713.010D

물성

구조 계산 물성

XLogP: 1.1
극성 표면적: 32.7 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 0
무거운 원자 수: 10
형식 전하: 0
복잡도: 234

물리화학적 성질

녹는점: 87 · 87-91 °C(lit.)
끓는 점: 197.2 · 197.2±50.0 °C(Predicted)
밀도: 1.55 · 1.55±0.1 g/cm3(Predicted)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
용해도: 에탄올에 용해됨
물리적 상태: powder to crystal
산도 계수 (pKa): -3.57 · -3.57±0.20(Predicted)
색상: White to Orange to Green
InChI: InChI=1S/C5H4Cl2N2O/c1-9-5(10)4(7)3(6)2-8-9/h2H,1H3
InChIKey: ACKBTCUMGAHRIE-UHFFFAOYSA-N
SMILES: C1(=O)N(C)N=CC(Cl)=C1Cl

화학적 성질

Off-white to yellow low crystalline powder

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H301 (97.6%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P272, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+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 CategoriesAcute Tox. 3 (97.6%)

안전 데이터

wgk: 3
rtecs: UR6188000
ridadr: UN 2811 6.1/PG 3
HS 번호: 29339980
risk_code: 22-36/37/38-43
hazard_code: Xn
safety_code: 26-36
위험 등급: 6.1
Hazard Classifications: Acute Tox. 3 OralEye Irrit. 2Skin Irrit. 2Skin Sens. 1STOT SE 3
스토리지 클래스: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects

화학 및 산업

응용 분야

용도4,5-Dichloro-2-methyl-3(2H)-pyridazinone can be used in the synthesis of 4-amino-3(2H)-pyridazinones and 5-amino-3(2H)-pyridazinones via reaction with N-benzylaminoethanol.