2-Chloro-4,8-dimethylquinoline
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Basic information
- CAS
3913-17-5- Standard SMILES
Cc1cc(Cl)nc2c(C)cccc12- InChIKey
UAKXMKQZURGJKF-UHFFFAOYSA-N- Molecular formula
- C11H10ClN
- Average molar mass
- 191.65 g/mol
- Monoisotopic mass
- 191.050177
Names & identifiers
- Preferred name
- 2-Chloro-4,8-dimethylquinoline
- IUPAC
- 2-chloro-4,8-dimethylquinoline
- English name
- 2-CHLORO-4,8-DIMETHYLQUINOLINE
- Molecular formula
- C11H10ClN
- Molecular weight
- 191.66
Names & synonyms
2-chloro-4,8-dimethylquinolineDTXSID10959934RefChem:468798DTXCID4013878053913-17-5MFCD00760267Quinoline, 2-chloro-4,8-dimethyl-NSC109755orb3022899SCHEMBL15778142-chloro-4,8-dimethyl-quinolineTPL0096
Show more names
OTAVA-BB BB7018930012
ALBB-026135SBB016320STK092856AKOS0002737173N-508SCS-W015835NSC-109755SB67810
Database identifiers
- CAS
3913-17-5- PubChem CID
- 269161
- DTXSID
DTXSID10959934- EC Number
- 670-384-8
- Nikkaji
- J433.663A
Properties
Computed structural propertiesFilling in
- XLogP
- 3.9
- Topological polar surface area
- 12.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 183
Physicochemical properties
- Melting point
- 65 · 65-67°
- Boiling point
- 312 ℃ · 312℃
- Density
- 1.188 · 1.188
- Flash point
- 171 ℃ · 171℃
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- Appearance
- White to off-white Solid
- Water Solubility
- Slightly soluble in water.
- CAS DataBase Reference
- 3913 · 3913-17-5
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
- HazardClass
- 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
H302 (20%): 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)
Aggregated GHS information provided per 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (20%)
Safety data
- hs_code
- 2933499090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Applications
Uses2-Chloro-4,8-dimethylquinoline is used as pharmaceutical intermediate.
Related reactions
2 records
Compound notes
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