6-Ethyl-4-quinolinol
Basic information
- CAS
303121-13-3- Standard SMILES
CCc1ccc2[nH]ccc(=O)c2c1- InChIKey
BXKNYSZMAPLOOY-UHFFFAOYSA-N- Molecular formula
- C11H11NO
- Average molar mass
- 173.21 g/mol
- Monoisotopic mass
- 173.08406397
Names & identifiers
- Preferred name
- 6-Ethyl-4-quinolinol
- IUPAC
- 6-ethyl-1H-quinolin-4-one
- English name
- AURORA 17982
- Molecular formula
- C11H11NO
- Molecular weight
- 173.21
Names & synonyms
6-Ethyl-4-quinolinolRefChem:543008303121-13-36-ethylquinolin-4-ol6-Ethyl-4-hydroxyquinoline6-ethyl-1H-quinolin-4-one4-Quinolinol, 6-ethyl-MFCD02332229SCHEMBL2056367F0911-3834AKOS002264981AKOS009581696
Show more names
AURORA 17982Reaxys ID: 7701311
E78067SR-01000453233FT-07512456-Ethyl-4-hydroxyquinolinOprea1_415109Oprea1_4351236-Ethyl-4(1H)-quinolinone6-Ethylquinolin-4(1H)-one
Database identifiers
- CAS
303121-13-3- PubChem CID
- 721202
- DTXSID
DTXSID30352226- EC Number
- 803-445-6
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 234
Physicochemical properties
- Boiling point
- 335 · 335.0±22.0 °C(Predicted)
- Density
- 1.17 · 1.170±0.06 g/cm3(Predicted)
- pka
- 4.49 · 4.49±0.40(Predicted)
- form
- solid
- InChI
- 1S/C11H11NO/c1-2-8-3-4-10-9(7-8)11(13)5-6-12-10/h3-7H,2H2,1H3,(H,12,13)
- InChIKey
- BXKNYSZMAPLOOY-UHFFFAOYSA-N
- SMILES
- CCc1ccc2nccc(O)c2c1
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 21 · NA.21
- Symbol(GHS)
- 5 · GHS05,GHS07
- Signal word
- Danger
- Hazard statements
- 302 · H302-H318
- Precautionary statements
- 280 · P280-P305+P351+P338
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22-41
- Safety Statements
- 26 · 26-39
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- wgk
- 3
- hs_code
- 2933499090
- risk_code
- 22-41
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- hazard_code
- Xn
- safety_code
- 26-39
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H318
- Hazard Classifications
- Acute Tox. 4 OralEye Dam. 1
- Precautionary statements
- P280-P305+P351+P338
Suppliers
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Related reactions
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Compound notes
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