2-(4,5-Dihydro-2-oxazolyl)quinoline
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Basic information
- CAS
202191-12-6- Standard SMILES
c1ccc2nc(C3=NCCO3)ccc2c1- InChIKey
USDSJWOYSHFPND-UHFFFAOYSA-N- Molecular formula
- C12H10N2O
- Average molar mass
- 198.22 g/mol
- Monoisotopic mass
- 198.07931295
Overview
structure in first source
Names & identifiers
- Preferred name
- 2-(4,5-Dihydro-2-oxazolyl)quinoline
- IUPAC
- 2-quinolin-2-yl-4,5-dihydro-1,3-oxazole
- English name
- 2-(4,5-Dihydro-2-oxazolyl)quinoline 97%
- Molecular formula
- C12H10N2O
- Molecular weight
- 198.22
Names & synonyms
202191-12-62-(4,5-DIHYDRO-2-OXAZOLYL)QUINOLINEDTXSID60356656RefChem:456014DTXCID70307715662-878-7quinox2-(Quinolin-2-yl)-4,5-dihydrooxazole2-(4,5-dihydro-1,3-oxazol-2-yl)quinoline2-quinolin-2-yl-4,5-dihydro-1,3-oxazoleMFCD00183217Quinoline, 2-(4,5-dihydro-2-oxazolyl)-
Show more names
2-(4,5-Dihydro-2-oxazolyl)quinoline 97%2-(4,5-Dihydro-2-oxazolyl)quinoline 97%
Oprea1_446663SCHEMBL65189612-(45-Dihydro-2-oxazolyl)quinolineAKOS024356127D75594A9202562-(2-quinolyl)-1,3-oxazolineAS-63
Database identifiers
- CAS
202191-12-6- PubChem CID
- 828047
- DTXSID
DTXSID60356656- EC Number
- 662-878-7
- Nikkaji
- J2.717.095A
Properties
Computed structural propertiesFilling in
- XLogP
- 2.1
- Topological polar surface area
- 34.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 264
Physicochemical properties
- Melting point
- 109 · 109-110 °C
- Boiling point
- 380.2 · 380.2±15.0 °C(Predicted)
- Density
- 1.26 · 1.26±0.1 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- form
- solid
- pka
- 3.27 · 3.27±0.61(Predicted)
- Appearance
- White to off-white Solid
- InChI
- 1S/C12H10N2O/c1-2-4-10-9(3-1)5-6-11(14-10)12-13-7-8-15-12/h1-6H,7-8H2
- InChIKey
- USDSJWOYSHFPND-UHFFFAOYSA-N
- SMILES
- C1CN=C(O1)c2ccc3ccccc3n2
- UNSPSC Code
- 12161600 · 12161600
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
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]
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)
Aggregated GHS information provided per 39 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 CategoriesSkin Irrit. 2 (100%)
Safety data
- wgk
- WGK 3
- risk_code
- 36/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2
- Precautionary statements
- P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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