Basic information
- CAS
21617-00-5- Standard SMILES
Cc1ccccc1NC(=O)Oc1ccc(Cl)c2cccnc12- InChIKey
RSWXUTKQPKETAK-UHFFFAOYSA-N- Molecular formula
- C17H13ClN2O2
- Average molar mass
- 312.7 g/mol
- Monoisotopic mass
- 312.0665554
Names & identifiers
- Preferred name
- 5-Chloro-8-quinolyl N-(O-tolyl)carbamate
- IUPAC
- (5-chloroquinolin-8-yl) N-(2-methylphenyl)carbamate
Names & synonyms
21617-00-55-chloro-8-quinolyl n-(o-tolyl)carbamateRefChem:534899666-032-85-Chloroquinolin-8-yl o-tolylcarbamate5-Chloroquinolin-8-ylo-tolylcarbamateAKOS024336578SB721495-chloro-8-quinolinyl 2-methylphenylcarbamate
Database identifiers
- CAS
21617-00-5- PubChem CID
- 3678097
- EC Number
- 666-032-8
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 51.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 393
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
Danger
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 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 CategoriesSkin Irrit. 2 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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