Basic information
- CAS
59741-12-7- Standard SMILES
COc1ccc(NC(=O)Oc2cccc3cccnc23)c(Cl)c1- InChIKey
IMKSMDRQAHLXNZ-UHFFFAOYSA-N- Molecular formula
- C17H13ClN2O3
- Average molar mass
- 328.7 g/mol
- Monoisotopic mass
- 328.06147
Names & identifiers
- Preferred name
- 8-Quinolyl N-(2-chloro-4-methoxyphenyl)carbamate
- IUPAC
- quinolin-8-yl N-(2-chloro-4-methoxyphenyl)carbamate
- English name
- 8-Quinolyl N-(2-chloro-4-methoxyphenyl)carbamate
- Molecular formula
- C17H13ClN2O3
- Molecular weight
- 328.75
Names & synonyms
59741-12-78-QUINOLYL N-(2-CHLORO-4-METHOXYPHENYL)CARBAMATERefChem:548433668-487-8Quinolin-8-yl (2-chloro-4-methoxyphenyl)carbamateAKOS024337100Carbamic acid, (2-chloro-4-methoxyphenyl)-, 8-quinolinyl ester (9CI)
Database identifiers
- CAS
59741-12-7- PubChem CID
- 4424232
- EC Number
- 668-487-8
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 60.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 409
Physicochemical properties
- Boiling point
- 475.2 · 475.2±45.0 °C(Predicted)
- Density
- 1.383 · 1.383±0.06 g/cm3(Predicted)
- pka
- 10.97 · 10.97±0.70(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H317
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
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
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P264+P265, P272, P280, P302+P352, P305+P351+P338, P321, P333+P317, P337+P317, P362+P364, 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 Sens. 1 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H317
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
Chemistry & industry
Suppliers2 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
SIGMAALDRICH—
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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