CAS 1115963-06-8 6-Methyl-4-pyridazinecarboxylic acid hydrochloride (HCID 55300768)

基本情報

CAS: 1115963-06-8
標準SMILES: Cc1cc(C(=O)O)cnn1
InChIKey: UMVDJTLECBAYCO-UHFFFAOYSA-N
分子式: C6H6N2O2
平均分子量: 138.12 g/mol
単同位体質量: 138.04292744

名称と識別子

優先名称: 6-Methyl-4-pyridazinecarboxylic acid hydrochloride
IUPAC: 6-methylpyridazine-4-carboxylic acid
英語名: 6-methylpyridazine-4-carboxylic acid
分子式: C6H6N2O2
分子量: 138.12

名称と別名

1115963-06-8RefChem:5439206-Methyl-4-pyridazinecarboxylic acid hydrochloride663-944-86-methylpyridazine-4-carboxylic acidMFCD192300046-methylpyridazine-4-carboxylicacidSCHEMBL321203UMVDJTLECBAYCO-UHFFFAOYSA-NQUB963066-methyl-4-Pyridazinecarboxylic acid6-methyl-pyridazine-4-carboxylic acid

名称をさらに表示

4-Pyridazinecarboxylic acid, 6-methyl-

AKOS006381361SB15918AS-51406SY268185DB-156391CS-0050157EN300-94777P12606

データベース識別子

CAS: 1115963-06-8
PubChem CID: 55300768
EC Number: 663-944-8

物性

構造計算による物性

XLogP: -0.2
極性表面積: 63.1 Å²
水素結合供与体数: 1
水素結合受容体数: 4
回転可能結合数: 1
重原子数: 10
形式電荷: 0
複雑度: 138

物理化学的性質

沸点: 391.4 · 391.4±22.0 °C(Predicted)
比重(密度): 1.319 · 1.319±0.06 g/cm3(Predicted)
貯蔵温度: Store at Room Tem.
酸解離定数(Pka): 3.47 · 3.47±0.10(Predicted)

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H317 (97.4%): May cause an allergic skin reaction [Warning Sensitization, Skin]

P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory.；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.