Basic information
- CAS
175277-09-5- Standard SMILES
Cc1cc(C(=O)O)n(C(C)(C)C)n1- InChIKey
JZPMLZWJUMATOQ-UHFFFAOYSA-N- Molecular formula
- C9H14N2O2
- Average molar mass
- 182.22 g/mol
- Monoisotopic mass
- 182.10552769
Names & identifiers
- Preferred name
- 1-tert-butyl-3-methyl-1H-pyrazole-5-carboxylic acid
- IUPAC
- 2-tert-butyl-5-methylpyrazole-3-carboxylic acid
- English name
- 1-(tert-Butyl)-3-methyl-1H-pyrazole-5-carboxylic acid
- Molecular formula
- C9H14N2O2
- Molecular weight
- 182.22
Names & synonyms
175277-09-51-tert-butyl-3-methyl-1H-pyrazole-5-carboxylic acidDTXSID00372537RefChem:235403DTXCID003235691-(tert-butyl)-3-methyl-1H-pyrazole-5-carboxylic acid2-tert-butyl-5-methylpyrazole-3-carboxylic acidMFCD000849171H-Pyrazole-5-carboxylic acid, 1-(1,1-dimethylethyl)-3-methyl-1-(tert-butyl)-3-methylpyrazole-5-carboxylic acidMaybridge1_0086272-tert-butyl-5-methyl-pyrazole-3-carboxylic acid
Show more names
BUTTPARK 92\18-701-(tert-Butyl)-5- carboxy-3-methyl-1H-pyrazole2-tert-butyl-5-methyl-3-pyrazolecarboxylic acid1-(tert-Butyl)-3-methyl-1H-pyrazole-5-carboxylic acid, 95+%1-(1,1-DIMETHYLETHYL)-3-METHYL-1H-PYRAZOLE-5-CARBOXYLICACID
MLS000851004SCHEMBL1326795CHEMBL1906292HMS566A03HMS2800B16AHA27709SBB089920AKOS006230463
Database identifiers
- CAS
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 210
Experimental & physicochemical properties
Solubility17.2 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Melting point
- 149 °C · 149 °C
- Boiling point
- 313.9 · 313.9±22.0 °C(Predicted)
- Density
- 1.13 · 1.13±0.1 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 3.01 · 3.01±0.10(Predicted)
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 271 · P271-P280
- Hazard Codes
- Xi,Xn
- Risk Statements
- 36 · 36/37/38-22
- Safety Statements
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2933199090
- risk_code
- 36/37/38-22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi,Xn
- hazard_note
- Irritant
- safety_code
- 26-36/37/39
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P271-P280
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers32 total
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
烟台盛凯伦生物制品有限公司13356901049 · [email protected]
北京零式京安科技有限责任公司10-61256048 13810278579 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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