2-Benzyl-4,5-dichloro-2,3-dihydropyridazin-3-one

HCID 722438CAS 41933-33-9

기본 정보

표준 SMILES: O=c1c(Cl)c(Cl)cnn1Cc1ccccc1
InChIKey: AJHBQZQCDCTOFD-UHFFFAOYSA-N
분자식: C11H8Cl2N2O
평균 분자량: 255.1 g/mol
단동위원소 질량: 254.00136824

이름 및 식별자

우선 이름: 2-Benzyl-4,5-dichloro-2,3-dihydropyridazin-3-one
IUPAC: 2-benzyl-4,5-dichloropyridazin-3-one
영어명: 2-Benzyl-4,5-dichloro-2,3-dihydropyridazin-3-one
분자식: C11H8Cl2N2O
분자량: 255.1

이름 및 동의어

2-benzyl-4,5-dichloro-2,3-dihydropyridazin-3-oneRefChem:465653868-309-041933-33-92-benzyl-4,5-dichloropyridazin-3(2h)-oneEcDsbB-IN-92-benzyl-4,5-dichloropyridazin-3-oneMFCD000677732-benzyl-4,5-dichloro-2,3-dihydropyridazinone4,5-Dichloro-2-benzylpyridazin-3(2H)-oneOTAVA-BB BB01286300322-Benzyl-4,5-dichloropyridazine-3(2H)-one

이름 더 보기

EcDsbBIN9,EcDsbB IN 9EcDsbB-IN-9, 10 mM in DMSO4,5-dichloro-2-(phenylmethyl)-3(2H)-Pyridazinone3(2H)-Pyridazinone, 4,5-dichloro-2-(phenylmethyl)-

Cambridge id 5357830orb1219790orb1306814SCHEMBL1691901DTXSID60352294AJHBQZQCDCTOFD-UHFFFAOYSA-NGLXC-05994HMS1583D01

데이터베이스 식별자

CAS: 41933-33-9
PubChem CID: 722438
DTXSID: DTXSID60352294
EC Number: 868-309-0
Nikkaji: J1.551.042K

물성

구조 계산 물성

XLogP: 2.6
극성 표면적: 32.7 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 16
형식 전하: 0
복잡도: 346

물리화학적 성질

녹는점: 86 °C · 86 °C(Solv: hexane (110-54-3))
끓는 점: 338 · 338.0±52.0 °C(Predicted)
밀도: 1.38 · 1.38±0.1 g/cm3(Predicted)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
산도 계수 (pKa): -3.51 · -3.51±0.20(Predicted)
물리적 상태: Solid
색상: White to off-white

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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.