8-Cyanoquinoline
Basic information
- CAS
35509-27-4- Standard SMILES
N#Cc1cccc2cccnc12- InChIKey
CIIFKVFOVFJZDM-UHFFFAOYSA-N- Molecular formula
- C10H6N2
- Average molar mass
- 154.17 g/mol
- Monoisotopic mass
- 154.0530982
Names & identifiers
- Preferred name
- 8-Cyanoquinoline
- IUPAC
- quinoline-8-carbonitrile
- English name
- 8-Quinolinecarbonitrile
- Molecular formula
- C10H6N2
- Molecular weight
- 154.17
Names & synonyms
8-Quinolinecarbonitrile8-CyanoquinolineCCRIS 7817DTXSID40876180RefChem:311982DTXCID401014288quinoline-8-carbonitrile35509-27-4MFCD099995448-Cyanoquinoline, 8-Quinolinecarbonitrile, CCRIS 7817, CID93183, LS-188576, 35509-27-4SCHEMBL1341511SCHEMBL4754101
Show more names
SCHEMBL5749203SCHEMBL5749219SCHEMBL5750786Quinoline-8-carbonitrile, 97%SCHEMBL22121642SCHEMBL29398699CIIFKVFOVFJZDM-UHFFFAOYSA-NAKOS012323501
Database identifiers
- CAS
35509-27-4- PubChem CID
- 93183
- DTXSID
DTXSID40876180- Nikkaji
- J378.589K
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 36.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 203
Experimental & physicochemical properties
LogP1.39
Physicochemical properties
- Melting point
- 82 · 82-83.5 °C
- Boiling point
- 323.7 · 323.7±15.0 °C(Predicted)
- Density
- 1.21 · 1.21±0.1 g/cm3(Predicted)
- storage temp.
- 2 · Storage temp. 2-8°C
- pka
- 1.76 · 1.76±0.17(Predicted)
- Appearance
- Light yellow to yellow Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
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
- H315-H319
- Precautionary statements
- P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
1 records
Compound notes
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