Basic information
- CAS
339235-30-2- Standard SMILES
CCOC(=O)c1c[nH]c2c(ccc3ccccc32)c1=O- InChIKey
BAQQTXLPROBUPE-UHFFFAOYSA-N- Molecular formula
- C16H13NO3
- Average molar mass
- 267.28 g/mol
- Monoisotopic mass
- 267.08954328
Names & identifiers
- Preferred name
- Ethyl 4-hydroxybenzo(h)quinoline-3-carboxylate
- IUPAC
- ethyl 4-oxo-1H-benzo[h]quinoline-3-carboxylate
- English name
- Ethyl 4-hydroxybenzo[h]quinoline-3-carboxylate
- Molecular formula
- C16H13NO3
- Molecular weight
- 267.28
Names & synonyms
Ethyl 4-hydroxybenzo[h]quinoline-3-carboxylate339235-30-2DTXSID10346623Ethyl 4-hydroxybenzo(h)quinoline-3-carboxylateRefChem:344013DTXCID00297695BAQQTXLPROBUPE-UHFFFAOYSA-N71083-13-1ethyl 4-oxo-1,4-dihydrobenzo[h]quinoline-3-carboxylateethyl 4-oxo-1H-benzo[h]quinoline-3-carboxylate4-HYDROXYBENZO[H]QUINOLINE-3-CARBOXYLIC ACID ETHYL ESTERTCMDC-123857
Show more names
Benzo[h]quinoline-3-carboxylic acid, 1,4-dihydro-4-oxo-, ethyl ester
4-hydroxybenzo[h]quinoline-3-carboxylicacidethylesterETHYL 4-OXO-1,4-DIHYDROBENZO(H)QUINOLINE-3-CARBOXYLATEGNF-Pf-5613CBMicro_035993ChemDiv2_000411Oprea1_108666Oprea1_257959Oprea1_530078
Database identifiers
- CAS
339235-30-2、71083-13-1- PubChem CID
- 613604
- DTXSID
DTXSID10346623- ChEMBL
CHEMBL529837- EC Number
- 122-000-0
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 55.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 443
Physicochemical properties
- Melting point
- 246 · 246-248 °C(Solv: ethanol (64-17-5))
- Boiling point
- 440 · 440.0±45.0 °C(Predicted)
- Density
- 1.283 · 1.283±0.06 g/cm3(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers2 total
上海安米克化学品有限公司微信 18019252918 18019252918 · [email protected]
衢州爱美康生物科技有限公司0570-3081766 18357083060 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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