Basic information
- Standard SMILES
COc1cc2c(Cl)ccnc2cc1OCc1ccccc1- InChIKey
SYKLZPMKNBDEOF-UHFFFAOYSA-N- Molecular formula
- C17H14ClNO2
- Average molar mass
- 299.7 g/mol
- Monoisotopic mass
- 299.07130637
Names & identifiers
- Preferred name
- 7-(Benzyloxy)-4-chloro-6-methoxyquinoline
- IUPAC
- 4-chloro-6-methoxy-7-phenylmethoxyquinoline
- English name
- 7-Benzyloxy-4-chloro-6-methoxy-quinoline
- Molecular formula
- C17H14ClNO2
- Molecular weight
- 299.75
Names & synonyms
286371-49-17-(benzyloxy)-4-chloro-6-methoxyquinoline7-Benzyloxy-4-chloro-6-methoxyquinoline7-Benzyloxy-4-chloro-6-methoxy-quinolineMFCD129104634-chloro-6-methoxy-7-phenylmethoxyquinolineQUINOLINE, 4-CHLORO-6-METHOXY-7-(PHENYLMETHOXY)-DTXSID806272944-chloro-7-benzyloxy-6-methoxyquinoline4-chloro-7-benzyloxy-6-methoxy-quinolineFT-0726851SCHEMBL371731
Show more names
7-(Benzyloxy)6-Methoxy-7-benzyloxy-4-chloroquinoline4-Chloro-6-methoxy-7-benzyloxyquinoline7- (benzoxy) -4-chloro-6-methoxy quinoline7-Benzyloxy-4-chloro-6-methoxy-quinoline ISO 9001:2015 REACH
SCHEMBL30216650SYKLZPMKNBDEOF-UHFFFAOYSA-NAKOS015920385PB33109AS-18263SY0970727-(benzyloxy)-4-chloro-6-methoxyquinolinCS-0050129
Database identifiers
- CAS
286371-49-1- PubChem CID
- 22646562
- DTXSID
DTXSID80627294
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 31.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 322
Physicochemical properties
- Boiling point
- 434.8 · 434.8±40.0 °C(Predicted)
- Density
- 1.262 · 1.262
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- pka
- 3.92 · 3.92±0.30(Predicted)
- Appearance
- Light brown to brown Solid
- InChI
- InChI=1S/C17H14ClNO2/c1-20-16-9-13-14(18)7-8-19-15(13)10-17(16)21-11-12-5-3-2-4-6-12/h2-10H,11H2,1H3
- InChIKey
- SYKLZPMKNBDEOF-UHFFFAOYSA-N
- SMILES
- N1C2C(=CC(OC)=C(OCC3=CC=CC=C3)C=2)C(Cl)=CC=1
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- HS Code
- 2933499090 · 2933499090
Safety & regulation
Safety data
- hs_code
- 2933499090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
Uses7-(benzyloxy)-4-chloro-6-methoxyquinoline (cas# 286371-49-1) is a useful research chemical.
Upstream & downstream products
Downstream products
Suppliers50 total
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Related reactions
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