3-Chloro-2-methylquinoline
Basic information
- CAS
10222-49-8- Standard SMILES
Cc1nc2ccccc2cc1Cl- InChIKey
VKQLIAGIUZPMER-UHFFFAOYSA-N- Molecular formula
- C10H8ClN
- Average molar mass
- 177.63 g/mol
- Monoisotopic mass
- 177.034527
Names & identifiers
- Preferred name
- 3-Chloro-2-methylquinoline
- IUPAC
- 3-chloro-2-methylquinoline
- English name
- 3-Chloro-2-methylquinoline
- Molecular formula
- C10H8ClN
- Molecular weight
- 177.63
Names & synonyms
3-chloro-2-methylquinoline10222-49-8Quinoline, 3-chloro-2-methyl-3-chloro-2-methyl-quinolineMFCD087056773-ChloroquinaldineMethylchinolinchloridSCHEMBL1467074SCHEMBL6182821SCHEMBL17274766DTXSID10332682AKOS006288817
Show more names
3-Chloro-2-methylquinoline - [C72363]
SB67530AS-59692SY422400DB-081651CS-0152743D84182F324191
Database identifiers
- CAS
10222-49-8- PubChem CID
- 459598
- DTXSID
DTXSID10332682
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 12.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 160
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
Physicochemical properties
- Melting point
- 71 °C · 71 °C
- Boiling point
- 110 · 110-120 °C(Press: 5 Torr)
- Density
- 1.225 · 1.225±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 3.39 · 3.39±0.50(Predicted)
- Appearance
- Off-white to light brown Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-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.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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