Basic information
- CAS
55643-77-1- Standard SMILES
c1ccc(-c2nc3ncccn3n2)cc1- InChIKey
XTCYBBUYBQFNEI-UHFFFAOYSA-N- Molecular formula
- C11H8N4
- Average molar mass
- 196.21 g/mol
- Monoisotopic mass
- 196.07489627
Names & identifiers
- Preferred name
- 2-Phenyl-(1,2,4)triazolo(1,5-a)pyrimidine
- IUPAC
- 2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine
- English name
- 8-phenyl-1,5,7,9-tetrazabicyclo[4.3.0]nona-2,4,6,8-tetraene
- Molecular formula
- C11H8N4
- Molecular weight
- 196.21
Names & synonyms
2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine2-Phenyl-(1,2,4)triazolo(1,5-a)pyrimidineRefChem:477967873-335-055643-77-18-PHENYL-1,5,7,9-TETRAZABICYCLO[4.3.0]NONA-2,4,6,8-TETRAENE2-Phenyl[1,2,4]triazolo[1,5-a]pyrimidineNSC301659SCHEMBL9538950DTXSID70316286AKOS006317284NSC-301659
Show more names
[1,2,4]Triazolo[1,5-a]pyrimidine, 2-phenyl-
DB-242975EN300-729542
Database identifiers
- CAS
55643-77-1- PubChem CID
- 327263
- DTXSID
DTXSID70316286- EC Number
- 873-335-0
- Nikkaji
- J3.442.129C
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 43.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 215
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H302-H315-H312-H332-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501-P280-P302+P352-P312-P322-P363-P501-P261-P271-P304+P340-P312-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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H302-H315-H312-H332-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501-P280-P302+P352-P312-P322-P363-P501-P261-P271-P304+P340-P312-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Suppliers1 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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