Basic information
- CAS
53454-31-2- Standard SMILES
O=c1cc[nH]c2cnccc12- InChIKey
FRPQAFURNDRNEF-UHFFFAOYSA-N- Molecular formula
- C8H6N2O
- Average molar mass
- 146.15 g/mol
- Monoisotopic mass
- 146.04801282
Names & identifiers
- Preferred name
- 1,4-Dihydro-1,7-naphthyridin-4-one
- IUPAC
- 1H-1,7-naphthyridin-4-one
- English name
- 1,7-Naphthyridin-4(1H)-one
- Molecular formula
- C8H6N2O
- Molecular weight
- 146.15
Names & synonyms
1,4-DIHYDRO-1,7-NAPHTHYRIDIN-4-ONERefChem:416774847-025-060122-51-21H-1,7-naphthyridin-4-one1,7-Naphthyridin-4(1H)-one1H-[1,7]Naphthyridin-4-one1,7-Naphthyridin-4-ol53454-31-2MFCD115014601,7-Naphthyridin-4(1H);-one4-Hydroxy-1,7-naphthyridine
Show more names
1,7-Naphthyridin-4(1H)[1,7]Naphthyridin-4-ol
SCHEMBL276512SCHEMBL276513[1,7]Naphthyridin-4-ol #SCHEMBL5144248SCHEMBL29397640DTXSID80343427FRPQAFURNDRNEF-UHFFFAOYSA-NAKOS006322898
Database identifiers
- CAS
53454-31-2、60122-51-2- PubChem CID
- 589687
- DTXSID
DTXSID80343427- EC Number
- 847-025-0
- Nikkaji
- J2.567.747A
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 42 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 200
Physicochemical properties
- Boiling point
- 295.3 · 295.3±40.0 °C(Predicted)
- Density
- 1.267 · 1.267±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 2.73 · 2.73±0.20(Predicted)
- Appearance
- white powder
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335-H302
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
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.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335-H302
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Applications
Uses1,7-Naphthyridin-4(1H)-one is used in the preparation of naphthyridine derivatives for treatment of cell proliferative disorder.
Suppliers31 total
韶远科技(上海)有限公司4000665055 · [email protected]
宁波振岳医药科技有限公司19817745290 · [email protected]
Sichuan Biosynce Pharmatech Co., Ltd.[email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
Aladdin Scientific[email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
南京药石科技股份有限公司025-86918202 4000255188 · [email protected]
凯试(上海)科技有限公司021-50135380 · [email protected]
南京药石科技股份有限公司4000255188 · [email protected]
宁波苯康基石医药科技有限公司15990591583
上海华思格医药科技有限公司13611612777 · [email protected]
武汉艾瑞尔化学科技有限公司18986259541 18986259541 · [email protected]
上海卡洛化学有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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