3(2H)-피리다진원

3(2H)-Pyridazinone

HCID 68153CAS 504-30-3

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: O=c1cccn[nH]1
InChIKey: AAILEWXSEQLMNI-UHFFFAOYSA-N
분자식: C4H4N2O
평균 분자량: 96.09 g/mol
단동위원소 질량: 96.03236276

이름 및 식별자

우선 이름: 3(2H)-Pyridazinone
IUPAC: 1H-pyridazin-6-one
현지명: 3(2H)-피리다진원
영어명: 3(2H)-Pyridazinone
분자식: C4H4N2O
분자량: 96.09

이름 및 동의어

3(2H)-Pyridazinone504-30-3Pyridazin-3(2H)-one3-Pyridazinone6-PyridazinonePyridazine, 3-hydroxy-DTXSID90198440NSC 21411RefChem:90545DTXCID20120931628-659-5AAILEWXSEQLMNI-UHFFFAOYSA-N

이름 더 보기

3(2H)-피리다진원3-azineonePyridazine-3-ol3-hydropyridazine

2H-Pyridazin-3-onepyridazin-3-ol3-Hydroxypyridazine1H-pyridazin-6-one3-Pyridazinol2,3-dihydropyridazin-3-onePyridazinoneMFCD00099605

데이터베이스 식별자

CAS: 504-30-3
PubChem CID: 68153
DTXSID: DTXSID90198440
ChEMBL: CHEMBL3228881
UNII: UZ5DP4K4YQ
EC Number: 628-659-5
Nikkaji: J100.657F

물성

구조 계산 물성

XLogP: -0.7
극성 표면적: 41.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 0
무거운 원자 수: 7
형식 전하: 0
복잡도: 137

물리화학적 성질

녹는점: 98 · 98-104 °C
끓는 점: 101 °C/1.5mmHg · 101°C/1.5mmHg(lit.)
밀도: 1.478 g/cm3 · 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
산도 계수 (pKa): 11.47 · 11.47±0.20(Predicted)
색상: 밝은 빨간색에서 밝은 갈색까지
BRN: 106974 · 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 · 3(2H)-pyridazinone(504-30-3)

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H315 (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 exposure; Respiratory 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.

유해성 정보

Regulatory InformationCommission Regulation No 844/2012

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (97.7%)

규제 정보

Regulatory InformationCommission Regulation No 844/2012

안전 데이터

wgk: 3
HS 번호: 29339900
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36/37
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

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

상·하류 제품 정보

상류 원료

하류 제품

Imidazo[1,2-b]pyridazine 3-Chloropyridazine 1(6H)-Pyridazineaceticacid,6-oxo-(6CI,9CI)피리다진,3-브로모-(9CI)2-페닐-3(2H)-피리다지논

공급사50 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

合肥翰刚医药科技有限公司+8618062405514 · [email protected]

INTATRADE GmbH+49 3493/605464 · [email protected]

Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

연결된 노트

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