3,6-ジクロロ-4-メチルピリダジン

3,6-Dichloro-4-methylpyridazine

HCID 87923CAS 19064-64-3

部分構造検索類似構造を探す

基本情報

標準SMILES: Cc1cc(Cl)nnc1Cl
InChIKey: ROYHWGZNGMXQEU-UHFFFAOYSA-N
分子式: C5H4Cl2N2
平均分子量: 163 g/mol
単同位体質量: 161.97515349

名称と識別子

優先名称: 3,6-Dichloro-4-methylpyridazine
IUPAC: 3,6-dichloro-4-methylpyridazine
現地名: 3,6-ジクロロ-4-メチルピリダジン
英語名: 3,6-Dichloro-4-methylpyridazine
分子式: C5H4Cl2N2
分子量: 163

名称と別名

3,6-Dichloro-4-methylpyridazine19064-64-3Pyridazine, 3,6-dichloro-4-methyl-3,6-Dichloro-5-methylpyridazineEINECS 242-794-3NSC 66367DTXSID10172560RefChem:91735DTXCID4095051Pyridazine, 3,6-dichloro-4-methyl-(8CI)Pyridazine, 3,6-dichloro-4-methyl-(8CI)(9CI)242-794-3

名称をさらに表示

3,6-ジクロロ-4-メチルピリダジン3,6‐ジクロロ‐4‐メチルピリダジン3,6-ジクロロ-4-メチルピリダジン, 97%SW-104SWF-104BUTTPARK 47\04-253,6-Dichloro-4-MethyRisdiplam Impurity 113,6-Dichloro-4-Methyl-pyr...3,4-DICHLORO-4-METHYLPYRIDAZINE

ROYHWGZNGMXQEU-UHFFFAOYSA-N3,6-Dichloro-4-methyl-pyridazineMFCD00006465NSC-66367NCIOpen2_000190AS-5556PB231684-methyl-3,6-dichloropyridazine

データベース識別子

CAS: 19064-64-3
PubChem CID: 87923
DTXSID: DTXSID10172560
UNII: 5XGB6YT2PH
EC Number: 242-794-3
Nikkaji: J101.469B

物性

構造計算による物性

XLogP: 2.1
極性表面積: 25.8 Å²
水素結合供与体数: 0
水素結合受容体数: 2
回転可能結合数: 0
重原子数: 9
形式電荷: 0
複雑度: 99

物理化学的性質

融点: 86 · 86-88 °C (lit.)
沸点: 149 · 149-151 °C/21 mmHg (lit.)
比重(密度): 1.5462 · 1.5462 (rough estimate)
屈折率: 1.63 · 1.6300 (estimate)
闪点: 149 · 149-151°C/21mm
貯蔵温度: Keep in dark place,Sealed in dry,Room Temperature
溶解性: soluble in Methanol
酸解離定数(Pka): -0.56 · -0.56±0.10(Predicted)
外見: 結晶性粉末
色: 茶色
BRN: 119573 · 119573
InChI: InChI=1S/C5H4Cl2N2/c1-3-2-4(6)8-9-5(3)7/h2H,1H3
InChIKey: ROYHWGZNGMXQEU-UHFFFAOYSA-N
SMILES: C1(Cl)=NN=C(Cl)C=C1C
CAS データベース: 19064 · 19064-64-3(CAS DataBase Reference)
NISTの化学物質情報: 3 · Pyridazine, 3,6-dichloro-4-methyl-(19064-64-3)

化学的性質

化学的特性Brown crystalline powder.

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 49 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.