7-(4-Chlorophenyl)-6-(3,4-dimethoxyphenyl)-7,12-dihydro-6H-chromeno[4,3-D][1,2,4]triazolo[1,5-A]pyrimidine
Basic information
- CAS
303094-17-9- Standard SMILES
COc1ccc(C2Oc3ccccc3C3=C2C(c2ccc(Cl)cc2)n2ncnc2N3)cc1OC- InChIKey
RYLBXYSQGBFZHB-UHFFFAOYSA-N- Molecular formula
- C26H21ClN4O3
- Average molar mass
- 472.9 g/mol
- Monoisotopic mass
- 472.1302182
Names & identifiers
- Preferred name
- 7-(4-Chlorophenyl)-6-(3,4-dimethoxyphenyl)-7,12-dihydro-6H-chromeno[4,3-D][1,2,4]triazolo[1,5-A]pyrimidine
- IUPAC
- 11-(4-chlorophenyl)-9-(3,4-dimethoxyphenyl)-8-oxa-12,13,15,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,13,15-hexaene
- English name
- 11-(4-chlorophenyl)-9-(3,4-dimethoxyphenyl)-8-oxa-12,13,15,17-tetraazatetracyclo[8.7.0.0^{2,7}.0^{12,16}]heptadeca-1(10),2(7),3,5,14,16-hexaene
- Molecular formula
- C26H21ClN4O3
- Molecular weight
- 472.92
Names & synonyms
7-(4-Chlorophenyl)-6-(3,4-dimethoxyphenyl)-7,12-dihydro-6H-chromeno[4,3-d][1,2,4]triazolo[1,5-a]pyrimidine303094-17-97-(4-CHLOROPHENYL)-6-(3,4-DIMETHOXYPHENYL)-7,12-DIHYDRO-6H-CHROMENO(4,3-D)(1,2,4)TRIAZOLO(1,5-A)PYRIMIDINERefChem:545140684-063-5AKOS0243271246H-[1]Benzopyrano[4,3-d][1,2,4]triazolo[1,5-a]pyrimidine, 7-(4-chlorophenyl)-6-(3,4-dimethoxyphenyl)-7,9-dihydro-11-(4-chlorophenyl)-9-(3,4-dimethoxyphenyl)-8-oxa-12,13,15,17-tetraazatetracyclo[8.7.0.0^{2,7}.0^{12,16}]heptadeca-1(10),2(7),3,5,14,16-hexaene
Database identifiers
- CAS
303094-17-9- PubChem CID
- 4089074
- EC Number
- 684-063-5
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 70.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 760
Physicochemical properties
- Boiling point
- 691.3 · 691.3±65.0 °C(Predicted)
- Density
- 1.42 · 1.42±0.1 g/cm3(Predicted)
- pka
- 2.81 · 2.81±0.60(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
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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