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

HCID 779402CAS 33098-11-2

기본 정보

표준 SMILES: O=c1c(Cl)c(Cl)cnn1-c1ccc(Cl)cc1
InChIKey: NSDMHMDFFLRTAE-UHFFFAOYSA-N
분자식: C10H5Cl3N2O
평균 분자량: 275.5 g/mol
단동위원소 질량: 273.946746

이름 및 식별자

우선 이름: 4,5-Dichloro-2-(4-chlorophenyl)-3(2H)-pyridazinone
IUPAC: 4,5-dichloro-2-(4-chlorophenyl)pyridazin-3-one
영어명: 4,5-Dichloro-2-(4-Chlorophenyl)-2,3-Dihydropyridazin-3-One
분자식: C10H5Cl3N2O
분자량: 275.52

이름 및 동의어

33098-11-24,5-dichloro-2-(4-chlorophenyl)-2,3-dihydropyridazin-3-oneDTXSID3012301264,5-dichloro-2-(4-chlorophenyl)-3(2H)-pyridazinoneRefChem:507658DTXCID701661351870-416-24,5-dichloro-2-(4-chlorophenyl)pyridazin-3-one4,5-Dichloro-2-(4-chlorophenyl)pyridazin-3(2H)-oneMFCD008142683(2H)-Pyridazinone, 4,5-dichloro-2-(4-chlorophenyl)-Cambridge id 5349968

이름 더 보기

SCHEMBL4672474NSDMHMDFFLRTAE-UHFFFAOYSA-NIBA09811AKOS000135006BS-41876SY126142CS-0036388EN300-41154

데이터베이스 식별자

CAS: 33098-11-2
PubChem CID: 779402
DTXSID: DTXSID301230126
EC Number: 870-416-2

물성

구조 계산 물성

XLogP: 3.3
극성 표면적: 32.7 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 16
형식 전하: 0
복잡도: 359

물리화학적 성질

녹는점: 186 · 186-188 °C(Solv: ethanol (64-17-5))
끓는 점: 353 · 353.0±52.0 °C(Predicted)
밀도: 1.55 · 1.55±0.1 g/cm3(Predicted)
저장 조건: 2 · Storage temp. 2-8°C
산도 계수 (pKa): -4.22 · -4.22±0.60(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): 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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.