1-エチル-1H-ピラゾール-5-カルボン酸

1-エチル-1H-ピラゾール-5-カルボン酸 · 2-エチル-2H-ピラゾール-3-カルボン酸 · 2-Ethylpyrazole-3-carboxylic acid · Albb-003737 · 1-Ethylpyrazole-5-carboxylic Acid · 1-Ethyl-1H-pyrazol-5-carboxylic acid · 1H-Pyrazole-5-carboxylic acid, 1-ethyl- · 1H-Pyrazole-5-carboxylicacid,1-ethyl-(9CI)

https://huagongshe.com/ja/chemical/565702

識別子と物理属性

CAS No.	400755-43-3
分子式	C6H8N2O2
平均分子量	140.14 g/mol
単同位体質量	140.0585775 g/mol
SMILES	CCn1nccc1C(=O)O
InChIKey	FSMHDKRQCDWWGZ-UHFFFAOYSA-N
PubChem CID	565702
EC No.	673-166-0
DTXSID	DTXSID60340570
現地名	1-エチル-1H-ピラゾール-5-カルボン酸

化学・物理的性質

XLogP	0.4
極性表面積	55.1
水素結合供与体数	1
水素結合受容体数	3
回転可能結合数	2
重原子数	10
形式電荷	0
複雑度	138
沸点	307.4±15.0 °C(Predicted)
密度	1.27±0.1 g/cm3(Predicted)
貯蔵条件	2-8°C
pKa（酸解離定数）	3.20±0.10(Predicted)

安全性と法規制

GHS 分類	WarningH302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral]H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]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 3 reports by companies from 3 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.
Hazard Classes and Categories	Acute Tox. 4 (66.7%)Skin Irrit. 2 (100%)Eye Irrit. 2A (100%)STOT SE 3 (100%)
税関コード	2933199090
危険等級	IRRITANT