1-(6-クロロピリダジン-3-イル)ヒドラジン

3-Chloro-6-hydrazinopyridazine

HCID 100787CAS 17284-97-8

部分構造検索類似構造を探す

基本情報

標準SMILES: NNc1ccc(Cl)nn1
InChIKey: FXYQRYGWWZKUFV-UHFFFAOYSA-N
分子式: C4H5ClN4
平均分子量: 144.56 g/mol
単同位体質量: 144.0202739

名称と識別子

優先名称: 3-Chloro-6-hydrazinopyridazine
IUPAC: (6-chloropyridazin-3-yl)hydrazine
現地名: 1-(6-クロロピリダジン-3-イル)ヒドラジン
英語名: 3-Chloro-6-hydrazinopyridazine
分子式: C4H5ClN4
分子量: 144.56

名称と別名

3-Chloro-6-hydrazinopyridazine17284-97-83-Chloro-6-hydrazino-pyridazineAbc-9076-chloro-3-hydrazinopyridazine6-Chloro-3-hydrazino-pyridazineDTXSID30169412RefChem:500288DTXCID3091903605-647-83-chloro-6-hydrazinylpyridazine(3-Chloropyridazin-6-yl)hydrazine

名称をさらに表示

(6-クロロピリダジン-3-イル)ヒドラジン3-クロロ-6-ヒドラジノピリダジン6-クロロ-3-ピリダジニルヒドラジン1-(6-クロロピリダジン-3-イル)ヒドラジン3-ヒドラジノ-6-クロロピリダジン(6-クロロ-3-ピリダジニル)ヒドラジン6-クロロ-3-ヒドラジノピリダジン3-クロロ-6-ヒドラジノピリダジン, 98%6-ヒドラジノ-3-クロロピリダジン3-クロロ-6-ヒドラジニルピリダジン3-chloro-6-hydrazineylpyridazineBUTTPARK 97\15-14AKOS BBS-00000699RARECHEM BG FB 0135oro-6-hydrazinopyridazine(6-Chloro-pyridazin-3-yl)...3-Hydrazino-6-chloropyridazine

(6-chloropyridazin-3-yl)hydrazineMFCD000517401-(6-CHLOROPYRIDAZIN-3-YL)HYDRAZINE3(2H)-Pyridazinone, 6-chloro-, hydrazone(6-Chloro-pyridazin-3-yl)-hydrazine3-chloropyridazin-6-yl hydrazinePYRIDAZINE, 3-CHLORO-6-HYDRAZINO-6-chloropyridazine-3-ylhydrazine

データベース識別子

CAS: 17284-97-8
PubChem CID: 100787
DTXSID: DTXSID30169412
ChEMBL: CHEMBL1307732
EC Number: 605-647-8
Nikkaji: J364.739K

物性

構造計算による物性

XLogP: 0.4
極性表面積: 63.8 Å²
水素結合供与体数: 2
水素結合受容体数: 4
回転可能結合数: 1
重原子数: 9
形式電荷: 0
複雑度: 88

実験および物理化学的性質

Solubility10.1 [ug/mL] (The mean of the results at pH 7.4)

物理化学的性質

融点: 137 · 137-141 °C (lit.)
沸点: 271 · 271.0±23.0 °C(Predicted)
比重(密度): 1.63 · 1.63±0.1 g/cm3(Predicted)
貯蔵温度: -20 °C · Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
外見: powder
酸解離定数(Pka): 5.34 · 5.34±0.20(Predicted)
色: Off-white
BRN: 125591 · 125591
InChI: InChI=1S/C4H5ClN4/c5-3-1-2-4(7-6)9-8-3/h1-2H,6H2,(H,7,9)
InChIKey: FXYQRYGWWZKUFV-UHFFFAOYSA-N
SMILES: C1(Cl)=NN=C(NN)C=C1
CAS データベース: 17284 · 17284-97-8(CAS DataBase Reference)

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H302 (91.5%): Harmful if swallowed [Warning Acute toxicity, oral]；H317 (89.4%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H318 (89.4%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

P261, P264, P264+P265, P270, P272, P280, P301+P317, P302+P352, P305+P354+P338, P317, P321, P330, P333+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 47 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.