7-Chloro-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
Basic information
- CAS
24415-66-5- Standard SMILES
Cc1cc(Cl)n2ncnc2n1- InChIKey
NOIPEBKPGPZXNR-UHFFFAOYSA-N- Molecular formula
- C6H5ClN4
- Average molar mass
- 168.58 g/mol
- Monoisotopic mass
- 168.0202739
Names & identifiers
- Preferred name
- 7-Chloro-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
- IUPAC
- 7-chloro-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
- English name
- 7-Chloro-5-methyl-1,2,4-triazole[1,5-a]pyrimidine
- Molecular formula
- C6H5ClN4
- Molecular weight
- 168.58
Names & synonyms
7-chloro-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine24415-66-5DTXSID003342567-chloro-5-methyl-(1,2,4)triazolo(1,5-a)pyrimidineRefChem:310637DTXCID10285346683-781-6MFCD002276197-chloro-5-methyl[1,2,4]triazolo[1,5-a]pyrimidine[1,2,4]Triazolo[1,5-a]pyrimidine, 7-chloro-5-methyl-CS-WAA01024-Chloro-6-methyl-1,3,3a,7-tetrazaindene
Show more names
7-Chloro-5-methyl-s-triazolo[1,5-a]pyrimidine7-Chloro-5-methyl-1,2,4-triazolo[1,5-]pyrimidine7-Chloro-5-methyl-1,2,4-triazole[1,5-a]pyrimidine
CHEMBL1916043BDBM50356934AB04989EN300-120455-methyl-7-chloro-1,2,4-triazolo[ 1,5-a]pyrimidineZ859175897-chloro-5-methyl-8-hydro-1,2,4-triazolo[1,5-a]pyrimidineTrapidil Impurity 2
Database identifiers
- CAS
24415-66-5- PubChem CID
- 520127
- DTXSID
DTXSID00334256- ChEMBL
CHEMBL1916043- EC Number
- 683-781-6
- Nikkaji
- J133.164G
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 43.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 154
Physicochemical properties
- Melting point
- 151 · 151-153 °C
- Density
- 1.59 · 1.59±0.1 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- pka
- -0.03 · -0.03±0.30(Predicted)
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 315 · H315-H335-H319-H301
- Precautionary statements
- 264 · P264-P270-P301+P310-P321-P330-P405-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
- HS Code
- 2933998090 · 2933998090
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
Danger
H301 (97.4%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (97.4%)
Safety data
- hs_code
- 2933998090
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- Hazard statements
- H315-H335-H319-H301
- Precautionary statements
- P264-P270-P301+P310-P321-P330-P405-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Applications
Uses7-Chloro-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine is a reactant used in the iron-catalyzed cross-coupling of organometallic compounds.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
3 records
Compound notes
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