Basic information
- CAS
386715-48-6- Standard SMILES
O=Cc1cc2cccc3c2n(c1=O)CCC3- InChIKey
FPZDNTSHNYEKBC-UHFFFAOYSA-N- Molecular formula
- C13H11NO2
- Average molar mass
- 213.23 g/mol
- Monoisotopic mass
- 213.07897859
Names & identifiers
- Preferred name
- 5-Oxo-2,3-dihydro-1H,5H-pyrido[3,2,1-ij]quinoline-6-carbaldehyde
- IUPAC
- 2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5(13),6,8-tetraene-3-carbaldehyde
- English name
- 5-Oxo-2,3-dihydro-1H,5H-pyrido[3,2,1-ij]quinoline-6-carbaldehyde
- Molecular formula
- C13H11NO2
- Molecular weight
- 213.23
Names & synonyms
386715-48-65-Oxo-2,3-dihydro-1H,5H-pyrido[3,2,1-ij]quinoline-6-carbaldehyde2,3-dihydro-5-oxo-(1h,5h)-benzo[ij]-quinolizine-6-carboxaldehydeMFCD015678082-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5(13),6,8-tetraene-3-carbaldehyde1H,5H-benzo[ij]quinolizine-6-carboxaldehyde, 2,3-dihydro-5-oxo-2,3-dihydro-5-oxo-(1h,5h)-benzo[ij]quinolizine-6-carboxaldehyde2,3-dihydro-5-oxo-1h,5h-benzo[ij]quinolizine-6-carboxaldehyde3-oxo-3,5,6,7-tetrahydropyrido[3,2,1-ij]quinoline-2-carbaldehydePeakdale1_0011582,3-Dihydro-5-oxo-(1H,5H)-benzo[ij]-SCHEMBL15181677
Show more names
5-Oxo-2,3-dihydro-1H,5H-benzo[ij]quinolizine-6-carboxaldehyde5-Oxo-2,3-dihydro-1H,5H-pyrido[3,2,1-ij]quinoline-6-carboxaldehyde5-Oxo-2,3-dihydro-1H,5H-pyrido[3,2,1-ij]quinoline-6-carboxaldehyde 95+%
HMS521E14DTXSID10371157ALBB-035226BBL029421SBB094795STL146408AKOS0023361712-OXO-1-AZATRICYCLO[7.3.1.0?,(1)(3)]TRIDECA-3,5,7,9(13)-TETRAENE-3-CARBALDEHYDE
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 37.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 361
Physicochemical properties
- Melting point
- 219 · 219~221℃
- Boiling point
- 392.5 · 392.5±42.0 °C(Predicted)
- Density
- 1.32 · 1.32±0.1 g/cm3(Predicted)
- pka
- 0.06 · 0.06±0.40(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Danger
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
- HS Code
- 2933998090 · 2933998090
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/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 5 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 CategoriesSkin Irrit. 2 (100%)
Safety data
- hs_code
- 2933998090
- Signal word
- Danger
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Suppliers5 total
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
江苏艾康生物医药研发有限公司025-58851090 13913916777 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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