6-(4-ブロモフェニル)-4,5-ジヒドロ-2H-ピリダジン-3-オン臭化物

6-(4-Bromophenyl)-4,5-dihydropyridazin-3(2H)-one

HCID 689108CAS 36725-37-8

部分構造検索類似構造を探す

基本情報

標準SMILES: O=C1CCC(c2ccc(Br)cc2)=NN1
InChIKey: CDDNLMGOLYMTSF-UHFFFAOYSA-N
分子式: C10H9BrN2O
平均分子量: 253.09 g/mol
単同位体質量: 251.98982501

名称と識別子

優先名称: 6-(4-Bromophenyl)-4,5-dihydropyridazin-3(2H)-one
IUPAC: 3-(4-bromophenyl)-4,5-dihydro-1H-pyridazin-6-one
現地名: 6-(4-ブロモフェニル)-4,5-ジヒドロ-2H-ピリダジン-3-オン臭化物
英語名: 6-(4-Bromophenyl)-4 5-dihydro-2H-pyrida&
分子式: C10H9BrN2O
分子量: 253.1

名称と別名

36725-37-86-(4-bromophenyl)-4,5-dihydropyridazin-3(2h)-oneDTXSID70351051RefChem:1073694DTXCID603021186-(4-Bromophenyl)-4,5-dihydro-2H-pyridazin-3-one6-(4-bromophenyl)-2,3,4,5-tetrahydropyridazin-3-one3-(4-bromophenyl)-4,5-dihydro-1H-pyridazin-6-oneMFCD002034906-(4-Bromophenyl)-4,5-dihydro-3(2H)-pyridazinone6-(4-Bromo-phenyl)-4,5-dihydro-2H-pyridazin-3-one6-(4-bromophenyl)-2,4,5-trihydropyridazin-3-one

名称をさらに表示

6-(4-ブロモフェニル)-4,5-ジヒドロ-2H-ピリダジン-3-オン臭化物6-(4-ブロモフェニル)-4,5-ジヒドロ-3(2H)-ピリダジノン6-(4-ブロモフェニル)-4,5-ジヒドロ-2H-ピリダジン-3-オン6-(4-Bromophenyl)-4 5-dihydro-2H-pyrida&3(2H)-Pyridazinone, 6-(4-bromophenyl)-4,5-dihydro-JRH-07004, 6-(4-Bromophenyl)-4,5-dihydropyridazin-3(2H)-one, 97%

SCHEMBL927560CDDNLMGOLYMTSF-UHFFFAOYSA-NHMS1661D11HMS3446O12LBA72537SBB079238AKOS001370002CCG-139876

データベース識別子

CAS: 36725-37-8
PubChem CID: 689108
DTXSID: DTXSID70351051
EC Number: 670-512-2
Nikkaji: J1.842.170D

物性

構造計算による物性

XLogP: 1.6
極性表面積: 41.5 Å²
水素結合供与体数: 1
水素結合受容体数: 2
回転可能結合数: 1
重原子数: 14
形式電荷: 0
複雑度: 257

実験および物理化学的性質

SpringerMaterials PropertiesChemical structure

物理化学的性質

融点: 167 · 167-171 °C(lit.)
InChI: 1S/C10H9BrN2O/c11-8-3-1-7(2-4-8)9-5-6-10(14)13-12-9/h1-4H,5-6H2,(H,13,14)
InChIKey: CDDNLMGOLYMTSF-UHFFFAOYSA-N
SMILES: Brc1ccc(cc1)C2=NNC(=O)CC2

安全と法規制

GHS分類

GHS Classification · 4 件

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 4 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.