Basic information
- CAS
18595-55-6- Standard SMILES
CC(C)(C)OC(=O)Oc1cccc2cccnc12- InChIKey
PAAWXPHOQOQYNE-UHFFFAOYSA-N- Molecular formula
- C14H15NO3
- Average molar mass
- 245.27 g/mol
- Monoisotopic mass
- 245.10519334
Names & identifiers
- Preferred name
- tert-Butyl 8-quinolyl carbonate
- IUPAC
- tert-butyl quinolin-8-yl carbonate
- English name
- tert-butyl 8-quinolyl carbonate
- Molecular formula
- C14H15NO3
- Molecular weight
- 245.27
Names & synonyms
tert-Butyl 8-quinolyl carbonate18595-55-6EINECS 242-434-5DTXSID90171819RefChem:894591DTXCID0094310242-434-5tert-butyl quinolin-8-yl carbonateSCHEMBL27890151tert-butyl 8-quinolinyl carbonatePAAWXPHOQOQYNE-UHFFFAOYSA-NAKOS008227726
Show more names
Carbonic acid 8-quinolyl tert-butyl esterCARBONIC ACID TERT-BUTYL ESTER QUINOLIN-8-YL ESTERCarbonic acid, 1,1-dimethylethyl 8-quinolinyl esterCarbonic acid (1,1-dimethylethyl)(8-quinolyl) ester
NS00026087
Database identifiers
- CAS
18595-55-6- PubChem CID
- 87716
- DTXSID
DTXSID90171819- EC Number
- 242-434-5
- Nikkaji
- J222.248E
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 48.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 298
Physicochemical properties
- Boiling point
- 369.2 · 369.2±24.0 °C(Predicted)
- Density
- 1.166 · 1.166±0.06 g/cm3(Predicted)
- pka
- 2.26 · 2.26±0.17(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H315-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
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%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H315-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Suppliers1 total
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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