Basic information
- CAS
306990-95-4- Standard SMILES
O=C(c1cccc2ccccc12)n1nnc2ccccc21- InChIKey
SOUJWQBDUNGZJE-UHFFFAOYSA-N- Molecular formula
- C17H11N3O
- Average molar mass
- 273.29 g/mol
- Monoisotopic mass
- 273.09021198
Names & identifiers
- Preferred name
- 1-(1-Naphthylcarbonyl)-1H-benzotriazole
- IUPAC
- benzotriazol-1-yl(naphthalen-1-yl)methanone
- English name
- 1-(1-Naphthylcarbonyl)-1H-benzotriazole
- Molecular formula
- C17H11N3O
- Molecular weight
- 273.29
Names & synonyms
1-(1-Naphthylcarbonyl)-1H-benzotriazoleDTXSID60350674RefChem:419930DTXCID00301741624-751-4306990-95-41-(Naphthalene-1-carbonyl)-1H-1,2,3-benzotriazolebenzotriazol-1-yl(naphthalen-1-yl)methanoneMLS000121279Benzotriazol-1-yl-naphthalen-1-yl-methanone(1H-benzo[d][1,2,3]triazol-1-yl)(naphthalen-1-yl)methanoneMethanone, 1H-benzotriazol-1-yl-1-naphthalenyl-
Show more names
1-(1-naphthoyl)-1H-1,2,3-benzotriazole
benzotriazol-1-yl(1-naphthyl)methanoneSMR0001187011-(NAPHTHALENE-1-CARBONYL)-1,2,3-BENZOTRIAZOLEbenzotriazolyl naphthyl ketonecid_685693SCHEMBL4334025CHEMBL4973742SCHEMBL29479838
Database identifiers
- CAS
306990-95-4- PubChem CID
- 685693
- DTXSID
DTXSID60350674- ChEMBL
CHEMBL4973742- Nikkaji
- J1.477.950G
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 47.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 399
Physicochemical properties
- Melting point
- 132 · 132-136 °C(lit.)
- Boiling point
- 497.9 · 497.9±28.0 °C(Predicted)
- Density
- 1.3 · 1.30±0.1 g/cm3(Predicted)
- pka
- -0.76 · -0.76±0.30(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
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22
- Safety Statements
- 36 · 36
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- risk_code
- 22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 36
- Hazard statements
- H319-H315-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers4 total
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…