2,7-Dimethylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid
Basic information
- CAS
175201-51-1- Standard SMILES
Cc1cc2ncc(C(=O)O)c(C)n2n1- InChIKey
CACYYYIWDACOAQ-UHFFFAOYSA-N- Molecular formula
- C9H9N3O2
- Average molar mass
- 191.19 g/mol
- Monoisotopic mass
- 191.06947654
Names & identifiers
- Preferred name
- 2,7-Dimethylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid
- IUPAC
- 2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid
- English name
- 4,7-Dimethylpyrazolo(1,5-a)pyrimidine-3-carboxylic acid
- Molecular formula
- C9H9N3O2
- Molecular weight
- 191.19
Names & synonyms
175201-51-12,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid2,7-Dimethylpyrazolo(1,5-a)pyrimidine-6-carboxylic acidDTXSID70371259RefChem:248825DTXCID40322293681-399-4Pyrazolo[1,5-a]pyrimidine-6-carboxylic acid, 2,7-dimethyl-MFCD00067901Maybridge1_004672HMS554M084,7-dimethylpyrazolo(1,5-a)pyrimidine-3-carboxylic acid
Show more names
BUTTPARK 52\04-982,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxylicaci4,7-DIMETHYLPYRAZOLO(1,5-A)PYRIMIDINE-3-CARBOXYLIC ACID ISO 9001：2015 REACH
SCHEMBL758308CACYYYIWDACOAQ-UHFFFAOYSA-N2,7-DIMETHYLPYRAZOLO[1,5-A]PYRIMIDINE-6-CARBOXYLICACIDAHA20151SBB026876STK510281AKOS001385509SDCCGMLS-0066131.P001
Database identifiers
- CAS
175201-51-1- PubChem CID
- 2736303
- DTXSID
DTXSID70371259- EC Number
- 681-399-4
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 67.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 246
Physicochemical properties
- Melting point
- 250 °C · 250 °C
- Density
- 1.43 · 1.43±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- -0.11 · -0.11±0.41(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
- Hazard Codes
- T
- Risk Statements
- 36 · 36/37/38-25
- Safety Statements
- 26 · 26-36/37/39-45
- 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
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 5 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 CategoriesSkin Irrit. 2 (100%)
Safety data
- hs_code
- 2933998090
- risk_code
- 36/37/38-25
- Symbol(GHS)
- GHS07
- hazard_code
- T
- safety_code
- 26-36/37/39-45
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Related reactions
2 records
Compound notes
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