2-Chloro-5,8-dimethylquinoline-3-carboxaldehyde
Basic information
- CAS
323196-71-0- Standard SMILES
Cc1ccc(C)c2nc(Cl)c(C=O)cc12- InChIKey
MEVWOQZZSJDOBU-UHFFFAOYSA-N- Molecular formula
- C12H10ClNO
- Average molar mass
- 219.66 g/mol
- Monoisotopic mass
- 219.0450916
Names & identifiers
- Preferred name
- 2-Chloro-5,8-dimethylquinoline-3-carboxaldehyde
- IUPAC
- 2-chloro-5,8-dimethylquinoline-3-carbaldehyde
- English name
- 2-CHLORO-5,8-DIMETHYL-3-QUINOLINECARBALDEHYDE
- Molecular formula
- C12H10ClNO
- Molecular weight
- 219.67
Names & synonyms
323196-71-02-Chloro-5,8-dimethylquinoline-3-carboxaldehydeDTXSID00354994RefChem:258858DTXCID003060542-chloro-5,8-dimethylquinoline-3-carbaldehyde2-chloro-5,8-dimethyl-3-quinolinecarbaldehydeMFCD022270452-Chloro-5,8-dimethyl-quinoline-3-carbaldehydeSCHEMBL28313499AC1575SBB095849
Show more names
AKOS BB-75583-Quinolinecarboxaldehyde, 2-chloro-5,8-dimethyl-
AKOS000365983AB11590CS-11959DA-26492CS-0199087EN300-703647AG-690/40751292F634298
Database identifiers
- CAS
323196-71-0- PubChem CID
- 788656
- DTXSID
DTXSID00354994- EC Number
- 803-468-1
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 30 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 246
Physicochemical properties
- storage temp.
- 2 · 2-8°C, stored under nitrogen
- form
- solid
- Appearance
- Light yellow to yellow Solid
- InChI
- 1S/C12H10ClNO/c1-7-3-4-8(2)11-10(7)5-9(6-15)12(13)14-11/h3-6H,1-2H3
- InChIKey
- MEVWOQZZSJDOBU-UHFFFAOYSA-N
- SMILES
- Cc1ccc(C)c2nc(Cl)c(C=O)cc12
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 21 · NA.21
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H319
- Precautionary statements
- 305 · P305+P351+P338
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22-36
- Safety Statements
- 26 · 26
- WGK Germany
- 3 · 3
- HS Code
- 2933499090 · 2933499090
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]
P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, 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
- 22-36
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 26
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H319
- Hazard Classifications
- Acute Tox. 4 OralEye Irrit. 2
- Precautionary statements
- P305+P351+P338
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Related reactions
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Compound notes
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