CAS 1837-55-4 3,5-Dichloropyridazine (HCID 19959687)

기본 정보

CAS: 1837-55-4
표준 SMILES: Clc1cnnc(Cl)c1
InChIKey: JZSAUQMXKHBZEO-UHFFFAOYSA-N
분자식: C4H2Cl2N2
평균 분자량: 148.98 g/mol
단동위원소 질량: 147.9595035

이름 및 식별자

우선 이름: 3,5-Dichloropyridazine
IUPAC: 3,5-dichloropyridazine
영어명: 3,5-Dichloropyridazine
분자식: C4H2Cl2N2
분자량: 148.98

이름 및 동의어

3,5-Dichloropyridazine1837-55-4DTXSID20601477RefChem:271701DTXCID80552234692-072-03,5-Dichloro-pyridazineMFCD106980483,5-Dichlor-pyridazinPYRIDAZINE, 3,5-DICHLORO-SCHEMBL400310CHEBI:194771

이름 더 보기

SA0295195-DichloropyridazinePyridazine,3,5-dichloro-3,5-Dichloropyridazine>3,5-Dichloropyridazine ISO 9001：2015 REACH

CS-D0778AB61136AC-25155AS-18922D4447EN300-96061Z1198278268BCP22319

데이터베이스 식별자

CAS: 1837-55-4
PubChem CID: 19959687
DTXSID: DTXSID20601477
ChEBI: CHEBI:194771
UNII: 74Q8S45BRC
EC Number: 692-072-0

물성

구조 계산 물성

XLogP: 1.4
극성 표면적: 25.8 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 0
무거운 원자 수: 8
형식 전하: 0
복잡도: 78

물리화학적 성질

녹는점: 60 to · 60.0 to 64.0 °C
끓는 점: 280.8 · 280.8±20.0 °C(Predicted)
밀도: 1.493 · 1.493±0.06 g/cm3(Predicted)
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
용해도: DMSO(적게), 메탄올(약간)에 용해됨
물리적 상태: 고체
산도 계수 (pKa): -0.25 · -0.25±0.10(Predicted)
색상: 노란색에서 진한 주황색까지
InChI: InChI=1S/C4H2Cl2N2/c5-3-1-4(6)8-7-2-3/h1-2H
InChIKey: JZSAUQMXKHBZEO-UHFFFAOYSA-N
SMILES: C1(Cl)=NN=CC(Cl)=C1

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302+H312+H332 (82.4%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]；H302 (97.1%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (88.2%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (97.1%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (97.1%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (88.2%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (94.1%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 34 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (97.1%)；Acute Tox. 4 (88.2%)；Skin Irrit. 2 (97.1%)；Eye Irrit. 2A (97.1%)；Acute Tox. 4 (88.2%)；STOT SE 3 (94.1%)

안전 데이터

wgk: WGK 3
HS 번호: 29339900
risk_code: 22
hazard_code: Xn
Hazard Classifications: Acute Tox. 4 Oral
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도3,5-Dichloropyridazine used in the treatment of asthma and allergy. Potential for antinociceptive and antiinflammatory effects

제조 방법 · 1건

Preparation of 3,5-Dichloropyridazine:2,4,4,4-Tetrachlorocrotonaldehyde is dissolved in a solvent, and a mixture of semicarbazide hydrochloride, water, and solvent is added dropwise under controlled temperature conditions. The reaction is stirred for 5 hours. Afterward, the reaction mixture is concentrated under reduced pressure to remove the solvent. Water is added, and the temperature is lowered to 5°C, allowing a solid to precipitate. The solid is filtered and recrystallized using a dichloromethane/petroleum ether mixture, yielding 3,5-dichloropyridazine as a white crystalline solid.