Basic information
- CAS
6334-39-0- Standard SMILES
C(=Cc1cnnc2ccccc12)c1ccccc1- InChIKey
VQXIUGSZPAZYGV-UHFFFAOYSA-N- Molecular formula
- C16H12N2
- Average molar mass
- 232.28 g/mol
- Monoisotopic mass
- 232.10004839
Names & identifiers
- Preferred name
- 4-(2-Phenylethenyl)cinnoline
- IUPAC
- 4-(2-phenylethenyl)cinnoline
Names & synonyms
4-(2-phenylethenyl)cinnoline6334-39-0RefChem:287405MLS002639089SCHEMBL2491044CHEMBL1698355DTXSID001308984HMS3080C03AKOS024323264SMR001548540
Database identifiers
- CAS
6334-39-0- PubChem CID
- 22797
- DTXSID
DTXSID001308984- ChEMBL
CHEMBL1698355- EC Number
- 654-808-9
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 25.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 281
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, 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)
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 CategoriesSkin Irrit. 2 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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