Basic information
- CAS
54232-06-3- Standard SMILES
COc1cc([N+](=O)[O-])c2nc(C)ccc2c1- InChIKey
XATLPIDKCYRSNH-UHFFFAOYSA-N- Molecular formula
- C11H10N2O3
- Average molar mass
- 218.21 g/mol
- Monoisotopic mass
- 218.06914219
Names & identifiers
- Preferred name
- 6-Methoxy-2-methyl-8-nitroquinoline
- IUPAC
- 6-methoxy-2-methyl-8-nitroquinoline
- English name
- 6-Methoxy-2-methyl-8-nitroquinoline
- Molecular formula
- C11H10N2O3
- Molecular weight
- 218.21
Names & synonyms
6-Methoxy-2-methyl-8-nitroquinoline54232-06-3DTXSID40291455RefChem:543614DTXCID50242599660-982-72-Methyl-6-methoxy-8-nitroquinolineNSC75683SCHEMBL10622390NSC 75683NSC-75683AKOS022889321
Show more names
Quinoline, 6-methoxy-2-methyl-8-nitro-
6-Methoxy-2-methyl-8-nitroquinoline #ST096308
Database identifiers
- CAS
54232-06-3- PubChem CID
- 253141
- DTXSID
DTXSID40291455- EC Number
- 660-982-7
- Nikkaji
- J1.474.274C
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 67.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 266
Physicochemical properties
- Melting point
- 186 · 186-187 °C
- Boiling point
- 373 · 373.0±37.0 °C(Predicted)
- Density
- 1.292 · 1.292±0.06 g/cm3(Predicted)
- pka
- 2.06 · 2.06±0.50(Predicted)
- Symbol(GHS)
- 5 · GHS05,GHS06
- Signal word
- Danger
- Hazard statements
- 335 · H335-H318-H301-H315
- Precautionary statements
- 264 · P264-P270-P301+P310-P321-P330-P405-P501-P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310
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
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS06
- Hazard statements
- H335-H318-H301-H315
- Precautionary statements
- P264-P270-P301+P310-P321-P330-P405-P501-P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310
Chemistry & industry
Suppliers2 total
上海奈亦斯生物科技有限公司18321139117 · [email protected]
河南伊诺凯新材料有限公司15090072163 · [email protected]
Related reactions
1 records
Compound notes
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