Basic information
- CAS
303104-28-1- Standard SMILES
Cc1ccc(C2C3=C(Nc4ncnn42)c2ccccc2OC3c2ccc(Br)cc2)cc1- InChIKey
ACXMFCPFCWFNLW-UHFFFAOYSA-N- Molecular formula
- C25H19BrN4O
- Average molar mass
- 471.3 g/mol
- Monoisotopic mass
- 470.07422
Names & identifiers
- Preferred name
- 6-(4-Bromophenyl)-7-(4-methylphenyl)-7,12-dihydro-6H-chromeno(4,3-D)(1,2,4)triazolo(1,5-A)pyrimidine
- IUPAC
- 9-(4-bromophenyl)-11-(4-methylphenyl)-8-oxa-12,13,15,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,13,15-hexaene
Names & synonyms
6-(4-bromophenyl)-7-(4-methylphenyl)-7,12-dihydro-6H-chromeno[4,3-d][1,2,4]triazolo[1,5-a]pyrimidine303104-28-16-(4-Bromophenyl)-7-(4-methylphenyl)-7,12-dihydro-6H-chromeno(4,3-D)(1,2,4)triazolo(1,5-A)pyrimidineRefChem:539384652-416-26-(4-Bromophenyl)-7-(p-tolyl)-7,12-dihydro-6H-chromeno[4,3-d][1,2,4]triazolo[1,5-a]pyrimidineOprea1_766327STK999447AKOS002143151AKOS021703299EU-0065464SR-01000586912
Show more names
SR-01000586912-16-(4-bromophenyl)-7-(4-methylphenyl)-7,12-dihydro-6H-[1]benzopyrano[4,3-d][1,2,4]triazolo[1,5-a]pyrimidine
Database identifiers
- CAS
303104-28-1- PubChem CID
- 3765005
- EC Number
- 652-416-2
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 52 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 685
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%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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