7-Tert-butyl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid
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Basic information
- CAS
883546-40-5- Standard SMILES
CC(C)(C)c1cc(C(=O)O)nc2ncnn12- InChIKey
PRAOSNPWIAYNEB-UHFFFAOYSA-N- Molecular formula
- C10H12N4O2
- Average molar mass
- 220.23 g/mol
- Monoisotopic mass
- 220.09602564
Names & identifiers
- Preferred name
- 7-Tert-butyl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid
- IUPAC
- 7-tert-butyl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid
- English name
- 7-TERT-BUTYL-[1,2,4]TRIAZOLO[1,5-A]PYRIMIDINE-5-CARBOXYLIC ACID
- Molecular formula
- C10H12N4O2
- Molecular weight
- 220.23
Names & synonyms
883546-40-57-tert-Butyl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid7-tert-butyl-(1,2,4)triazolo(1,5-a)pyrimidine-5-carboxylic acidRefChem:547052878-226-17-tert-butyl[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid7-(tert-butyl)-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acidMFCD07186563F3250-06977-(tert-butyl)-8-hydro-1,2,4-triazolo[1,5-a]pyrimidine-5-carboxylic acidSMSSF-0055531BBL012402
Show more names
ASINEX-REAG BAS 13774838[1,2,4]Triazolo[1,5-a]pyrimidine-5-carboxylic acid, 7-(1,1-dimethylethyl)-
SBB028059STK392462AKOS000272814VS-03327ST50210433EN300-41364VU0607320-1G55943
Database identifiers
- CAS
883546-40-5- PubChem CID
- 6497231
- EC Number
- 878-226-1
Properties
Computed structural propertiesFilling in
- XLogP
- 1.7
- Topological polar surface area
- 80.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 289
Physicochemical properties
- Density
- 1.38 · 1.38±0.1 g/cm3(Predicted)
- pka
- -2.88 · -2.88±0.41(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H335-H315-H302
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
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, 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_code
- Xi
- hazard_class
- IRRITANT
- Hazard statements
- H319-H335-H315-H302
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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