Basic information
- CAS
79965-62-1- Standard SMILES
Cc1c([N+](=O)[O-])cnc2ccccc12- InChIKey
NDKYJOLMYSCMGQ-UHFFFAOYSA-N- Molecular formula
- C10H8N2O2
- Average molar mass
- 188.18 g/mol
- Monoisotopic mass
- 188.0585775
Names & identifiers
- Preferred name
- 4-Methyl-3-nitroquinoline
- IUPAC
- 4-methyl-3-nitroquinoline
- English name
- 4-METHYL-3-NITROQUINOLINE
- Molecular formula
- C10H8N2O2
- Molecular weight
- 188.18
Names & synonyms
4-METHYL-3-NITROQUINOLINE79965-62-1DTXSID60495392RefChem:294308DTXCID00446202MFCD015747413-nitro-4-methylquinoline4-methyl-3-nitro-quinolineOprea1_872613SCHEMBL4727431CHEMBL1876130NDKYJOLMYSCMGQ-UHFFFAOYSA-N
Show more names
Quinoline, 4-methyl-3-nitro-
AKOS006280112DS-9122NCGC00188201-01NCGC00188201-02DB-081681F333310
Database identifiers
- CAS
79965-62-1- PubChem CID
- 12379985
- DTXSID
DTXSID60495392- ChEMBL
CHEMBL1876130
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 58.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 227
Physicochemical properties
- Melting point
- 118 °C · 118 °C(Solv: water (7732-18-5))
- Boiling point
- 328.3 · 328.3±22.0 °C(Predicted)
- Density
- 1.298 · 1.298±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 1.8 · 1.80±0.24(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- HS Code
- 2933499090 · 2933499090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2933499090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Suppliers8 total
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [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]
北京六合宁远医药科技股份有限公司010-60400365-8001 15910885229 · [email protected]
上海书亚医药科技有限公司400-685-9117 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 15955137747 · [email protected]
苏州诺欧曼生物科技有限公司15026866316 · [email protected]
上海美迪西生物医药股份有限公司021-50822001 · [email protected]
湖北偕丰医药科技有限公司2383948258 19172820304 · [email protected]
Related reactions
2 records
Compound notes
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