8-Quinolyl N-(2-methoxy-5-nitrophenyl)carbamate
Basic information
- CAS
59741-14-9- Standard SMILES
COc1ccc([N+](=O)[O-])cc1NC(=O)Oc1cccc2cccnc12- InChIKey
LSAVGWBQAHUDTF-UHFFFAOYSA-N- Molecular formula
- C17H13N3O5
- Average molar mass
- 339.3 g/mol
- Monoisotopic mass
- 339.08552052
Names & identifiers
- Preferred name
- 8-Quinolyl N-(2-methoxy-5-nitrophenyl)carbamate
- IUPAC
- quinolin-8-yl N-(2-methoxy-5-nitrophenyl)carbamate
- English name
- 8-Quinolyl N-(2-methoxy-5-nitrophenyl)carbamate
- Molecular formula
- C17H13N3O5
- Molecular weight
- 339.3
Names & synonyms
59741-14-9RefChem:5484368-quinolyl n-(2-methoxy-5-nitrophenyl)carbamate665-334-7Quinolin-8-yl (2-methoxy-5-nitrophenyl)carbamate8-quinolinyl 2-methoxy-5-nitrophenylcarbamateAKOS024336359Carbamic acid, (2-methoxy-5-nitrophenyl)-, 8-quinolinyl ester (9CI)
Database identifiers
- CAS
59741-14-9- PubChem CID
- 5214756
- EC Number
- 665-334-7
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 483
Physicochemical properties
- Boiling point
- 522.6 · 522.6±50.0 °C(Predicted)
- Density
- 1.428 · 1.428±0.06 g/cm3(Predicted)
- pka
- 10.95 · 10.95±0.70(Predicted)
- Symbol(GHS)
- 7 · GHS07,GHS05
- Signal word
- Danger
- Hazard statements
- 318 · H318-H315-H335
- Precautionary statements
- 280 · P280-P305+P351+P338-P310-P264-P280-P302+P352-P321-P332+P313-P362
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, 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 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%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS05
- Hazard statements
- H318-H315-H335
- Precautionary statements
- P280-P305+P351+P338-P310-P264-P280-P302+P352-P321-P332+P313-P362
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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