3(2H)-피리다진원

3(2H)-피리다진원 · Pyridazin-3(2H)-one · PYRIDAZIN-3-OL · 3-azineone · 3-Pyridazinol · 6-Pyridazinone · 3-Pyridazinone · Pyridazine-3-ol

식별자 및 물리적 특성

CAS No.	504-30-3
분자식	C4H4N2O
평균 분자량	96.09 g/mol
단동위원소 질량	96.03236276 g/mol
SMILES	O=c1cccn[nH]1
InChIKey	AAILEWXSEQLMNI-UHFFFAOYSA-N
PubChem CID	68153
ChEMBL	CHEMBL3228881
EC No.	628-659-5
DTXSID	DTXSID90198440
현지명	3(2H)-피리다진원

XLogP	-0.7
극성 표면적	41.5
수소 결합 공여자 수	1
수소 결합 수용자 수	2
회전 가능 결합 수	0
무거운 원자 수	7
형식 전하	0
복잡도	137
녹는점	98-104 °C
끓는 점	101°C/1.5mmHg(lit.)
밀도	1.478 g/cm3
저장 조건	Keep in dark place,Sealed in dry,Room Temperature
용해도	DMSO(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태	고체
pKa(산도 계수)	11.47±0.20(Predicted)
색상	밝은 빨간색에서 밝은 갈색까지
BRN	106974
InChI	InChI=1S/C4H4N2O/c7-4-2-1-3-5-6-4/h1-3H,(H,6,7)
InChIKey	AAILEWXSEQLMNI-UHFFFAOYSA-N
SMILES	C1(=O)NN=CC=C1
NIST	3(2H)-pyridazinone(504-30-3)

GHS 분류	WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (97.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 43 reports by companies from 5 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.
규제 정보	Commission Regulation No 844/2012
Hazard Classes and Categories	Skin Irrit. 2 (100%)Eye Irrit. 2 (100%)STOT SE 3 (97.7%)
수질 위해 등급(WGK)	3
관세 코드	29339900
위험 문구(R)	36/37/38
위험 표시	Xi
안전 문구(S)	26-36/37
위험 등급	Eye Irrit. 2Skin Irrit. 2STOT SE 3
저장 분류	11 - Combustible Solids

Pyridazin-3(2H)-one can be used for anti-inflammatory and analgesic drug discovery.