3,4,6-トリクロロピリダジン

3,4,6-Trichloropyridazine

HCID 95123CAS 6082-66-2

部分構造検索類似構造を探す

基本情報

標準SMILES: Clc1cc(Cl)c(Cl)nn1
InChIKey: LJDQXQOPXOLCHL-UHFFFAOYSA-N
分子式: C4HCl3N2
平均分子量: 183.42 g/mol
単同位体質量: 181.92053107

名称と識別子

優先名称: 3,4,6-Trichloropyridazine
IUPAC: 3,4,6-trichloropyridazine
現地名: 3,4,6-トリクロロピリダジン
英語名: 3,4,6-Trichloropyridazine
分子式: C4HCl3N2
分子量: 183.42

名称と別名

3,4,6-Trichloropyridazine6082-66-2DTXSID10209663RefChem:90961DTXCID60132154629-902-8MFCD00834957Pyridazine, 3,4,6-trichloro-3,4,6-trichioropyridazineAKOS00506933310X-0364F0001-1594

名称をさらに表示

3,4,6-トリクロロピリダジン3,4,6-Trichloro-1,2-diazine3,4,6-TrichL6-Trichloropyridazine3-METHYL-2-BENZOXAZOLINONE,PLANT STANDARD3,4,6-Trichloropyridazine ISO 9001：2015 REACH

NSC 19451NSC 51080NSC-19451NSC-51080FT-06493543,4,6-TrichloropyridazinDTXSID10203,4,6-trichloro-pyridazine

データベース識別子

CAS: 6082-66-2
PubChem CID: 95123
DTXSID: DTXSID10209663
EC Number: 629-902-8
Nikkaji: J337.689C

物性

構造計算による物性

XLogP: 2.4
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: 99.8

実験および物理化学的性質

SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy

物理化学的性質

融点: 55 to · 55.0 to 59.0 °C
沸点: 98 °C/43mmHg · 98°C/43mmHg(lit.)
比重(密度): 1.641 · 1.641±0.06 g/cm3(Predicted)
貯蔵温度: Sealed in dry,Room Temperature
溶解性: soluble in Methanol
外見: powder to crystal
酸解離定数(Pka): -2.72 · -2.72±0.10(Predicted)
色: White to Light yellow to Light orange
InChI: InChI=1S/C4HCl3N2/c5-2-1-3(6)8-9-4(2)7/h1H
InChIKey: LJDQXQOPXOLCHL-UHFFFAOYSA-N
SMILES: C1(Cl)=NN=C(Cl)C=C1Cl

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (94.3%): 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)

Aggregated GHS information provided per 35 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.