2-Chloro-5-fluoro-3,8-dimethylquinoline
Basic information
- CAS
175204-94-1- Standard SMILES
Cc1cc2c(F)ccc(C)c2nc1Cl- InChIKey
VHZSLPPYDBJXMQ-UHFFFAOYSA-N- Molecular formula
- C11H9ClFN
- Average molar mass
- 209.65 g/mol
- Monoisotopic mass
- 209.0407551
Names & identifiers
- Preferred name
- 2-Chloro-5-fluoro-3,8-dimethylquinoline
- IUPAC
- 2-chloro-5-fluoro-3,8-dimethylquinoline
- English name
- 2-Chloro-5-fluoro-3,8-dimethylquinoline
- Molecular formula
- C11H9ClFN
- Molecular weight
- 209.65
Names & synonyms
2-chloro-5-fluoro-3,8-dimethylquinoline175204-94-1DTXSID50371439RefChem:258923DTXCID20322473824-302-4MFCD00276571Quinoline, 2-chloro-5-fluoro-3,8-dimethyl-2-Chloro-3,8-dimethyl-5-fluoroquinoline2-chloro-5-fluoro-3,8-dimethyl-quinolineSCHEMBL895206SBB094260
Show more names
2-Chloro-5-Fluoro-3,8-Dimethyl2-Chloro-5-fluoro-3,8-dimethylquinoline97%2-Chloro-3,8-dimethyl-5-fluoroquinoline 97%2-Chloro-5-fluoro-3,8-dimethylquinoline 97%
AKOS009157662SB69745ST098558DB-015716CS-0216862EN300-630470G54277F008234
Database identifiers
- CAS
175204-94-1- PubChem CID
- 2736555
- DTXSID
DTXSID50371439- EC Number
- 824-302-4
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 12.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 211
Physicochemical properties
- Melting point
- 49 · 49-51°C
- Boiling point
- 308.8 · 308.8±37.0 °C(Predicted)
- Density
- 1.266 · 1.266±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- -0.47 · -0.47±0.50(Predicted)
- CAS DataBase Reference
- 175204 · 175204-94-1(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H303-H315-H335
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P312-P264-P280-P302+P352-P321-P332+P313-P362
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36/37/39
- Hazard Note
- Irritant
- 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
H303 (100%): May be harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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. 5 (100%)
Safety data
- hs_code
- 2933499090
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 26-36/37/39
- Hazard statements
- H319-H303-H315-H335
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P312-P264-P280-P302+P352-P321-P332+P313-P362
Suppliers
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Related reactions
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Compound notes
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