7-Methoxyquinoline
Basic information
- CAS
4964-76-5- Standard SMILES
COc1ccc2cccnc2c1- InChIKey
IVHJSNNMKJWPFW-UHFFFAOYSA-N- Molecular formula
- C10H9NO
- Average molar mass
- 159.18 g/mol
- Monoisotopic mass
- 159.06841391
Overview
structure given in first source
Names & identifiers
- Preferred name
- 7-Methoxyquinoline
- IUPAC
- 7-methoxyquinoline
- English name
- 7-methoxyquinoline
- Molecular formula
- C10H9NO
- Molecular weight
- 159.18
Names & synonyms
7-Methoxyquinoline4964-76-5DTXSID20197946RefChem:106319DTXCID80120437838-295-07-methoxy-quinolineQuinoline, 7-methoxy-MFCD008702917-(Methyloxy)quinolineSCHEMBL619653AKOS006273167
Show more names
CS-W022551FS-3437SB67823SY021166EN300-244385Z1198155589FT-0671370A26292
Database identifiers
- CAS
4964-76-5- PubChem CID
- 78666
- DTXSID
DTXSID20197946- EC Number
- 838-295-0
- Nikkaji
- J112.928G
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 22.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 149
Experimental & physicochemical properties
LogP2.37
Physicochemical properties
- Boiling point
- 143 · 143-145 °C(Press: 11 Torr)
- Density
- 1.13 · 1.130±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- Chloroform
- form
- Oil
- pka
- 5.26 · 5.26±0.14(Predicted)
- color
- Yellow
- InChI
- InChI=1S/C10H9NO/c1-12-9-5-4-8-3-2-6-11-10(8)7-9/h2-7H,1H3
- InChIKey
- IVHJSNNMKJWPFW-UHFFFAOYSA-N
- SMILES
- N1C2C(=CC=C(OC)C=2)C=CC=1
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- 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
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
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
Uses7-Methoxyquinoline (cas# 4964-76-5) is a compound useful in organic synthesis.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers
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Related reactions
8 records
Compound notes
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