Basic information
- CAS
12408-11-6- Standard SMILES
O=[N+]([O-])c1cnc2ccccc2c1- InChIKey
ZXVRNZRQQRBDLX-UHFFFAOYSA-N- Molecular formula
- C9H6N2O2
- Average molar mass
- 174.16 g/mol
- Monoisotopic mass
- 174.04292743
Names & identifiers
- Preferred name
- 3-Nitroquinoline
- IUPAC
- 3-nitroquinoline
- English name
- 3-Nitroquinoline
- Molecular formula
- C9H6N2O2
- Molecular weight
- 174.16
Names & synonyms
3-Nitroquinoline17576-53-3DTXSID60879658RefChem:1068352DTXCID301017665Quinoline, 3-nitro-3-nitro-quinolineMFCD00956379MLS000702569SCHEMBL2230388SCHEMBL3384539SCHEMBL8546468
Show more names
CHEMBL1501650SCHEMBL27721936SCHEMBL28347678SCHEMBL29642602ZXVRNZRQQRBDLX-UHFFFAOYSA-NHMS2509L07AKOS006274007SB67544
Database identifiers
- CAS
12408-11-6、17576-53-3- PubChem CID
- 25551
- DTXSID
DTXSID60879658- ChEMBL
CHEMBL1501650- Nikkaji
- J148.021I
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 58.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 202
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
LogP1.97
Physicochemical properties
- Melting point
- 128 °C · 128 °C
- Boiling point
- 317.4 · 317.4±15.0 °C(Predicted)
- Density
- 1.354 · 1.354±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 1.15 · 1.15±0.11(Predicted)
- Appearance
- Off-white to light yellow Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H320-H335
- Precautionary statements
- 261 · P261-P280-P302+P352-P305+P351+P338
- HS Code
- 2933499090 · 2933499090
Safety & regulation
Safety data
- hs_code
- 2933499090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H320-H335
- Precautionary statements
- P261-P280-P302+P352-P305+P351+P338
Chemistry & industry
Suppliers20 total
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
宁波季诺化学品有限公司0574-87314919 057487319282 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
重庆张邦医药科技有限责任公司028-84252981 18583719936 · [email protected]
赛纳斯特化学（欢迎点击联系）021-60343070
上海将来实业股份有限公司400-0066400 13621662912 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
合肥钼凯医药科技有限公司18130062233 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
苏州诺欧曼生物科技有限公司15026866316 · [email protected]
上海玉函化工有限公司021-61469567 13774476675 · [email protected]
Chembon Pharmaceutical Co., Ltd.+86-28-8425-2981
Related reactions
4 records
Compound notes
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