CAS 215530-62-4 6-Chloro-[1,2,4]triazolo[1,5-b]pyridazine-2-carboxylic acid (HCID 22989292)

基本情報

CAS: 215530-62-4
標準SMILES: O=C(O)c1nc2ccc(Cl)nn2n1
InChIKey: FTZDILJQOJEYLX-UHFFFAOYSA-N
分子式: C6H3ClN4O2
平均分子量: 198.57 g/mol
単同位体質量: 197.99445302

名称と識別子

優先名称: 6-Chloro-[1,2,4]triazolo[1,5-b]pyridazine-2-carboxylic acid
IUPAC: 6-chloro-[1,2,4]triazolo[1,5-b]pyridazine-2-carboxylic acid
英語名: 6-Chloro-[1,2,4]triazolo[1,5-b]pyridazine-2-carboxylic acid
分子式: C6H3ClN4O2
分子量: 198.57

名称と別名

6-CHLORO-[1,2,4]TRIAZOLO[1,5-B]PYRIDAZINE-2-CARBOXYLIC ACID6-chloro-(1,2,4)triazolo(1,5-b)pyridazine-2-carboxylic acidRefChem:541337843-864-1215530-62-4MFCD110447576-Chloro-[1,2,4]triazolo[1,5-b]-pyridazine-2-carboxylic acid6-chloro[1,2,4]triazolo[1,5-b]pyridazine-2-carboxylic acidSCHEMBL6619042DTXSID80629374FTZDILJQOJEYLX-UHFFFAOYSA-NAKOS006309724

名称をさらに表示

6-chloro-[14]triazolo[15-b]pyridazine-2-carboxylic acid[1,2,4]Triazolo[1,5-b]pyridazine-2-carboxylic acid, 6-chloro-

DB-029252CS-0438417C13570EN300-6504821F764874Z1198307490(6-chloro[1,2,4]triazolo[1,5-b]pyridazin-2-yl)carboxylic acid6-Chloro-[1,2,4]triazolo-[1,5-b]pyridazine-2-carboxylic acid

データベース識別子

CAS: 215530-62-4
PubChem CID: 22989292
DTXSID: DTXSID80629374
EC Number: 843-864-1

物性

構造計算による物性

XLogP: 1.1
極性表面積: 80.4 Å²
水素結合供与体数: 1
水素結合受容体数: 5
回転可能結合数: 1
重原子数: 13
形式電荷: 0
複雑度: 227

物理化学的性質

比重(密度): 1.96 · 1.96±0.1 g/cm3(Predicted)
酸解離定数(Pka): -4.65 · -4.65±0.41(Predicted)

安全と法規制

GHS分類

GHS Classification · 4 件

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.