CAS 143426-47-5 Ethyl 4-(1H-pyrazol-1-YL)benzoate (HCID 973146)

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Basic information

CAS: 143426-47-5
Standard SMILES: CCOC(=O)c1ccc(-n2cccn2)cc1
InChIKey: OJGQSNIJSFGVJG-UHFFFAOYSA-N
Molecular formula: C12H12N2O2
Average molar mass: 216.24 g/mol
Monoisotopic mass: 216.08987763

Names & identifiers

Preferred name: Ethyl 4-(1H-pyrazol-1-YL)benzoate
IUPAC: ethyl 4-pyrazol-1-ylbenzoate
English name: Ethyl 4-(1H-Pyrazol-1-yl)benzoate
Molecular formula: C12H12N2O2
Molecular weight: 216.24

Names & synonyms

143426-47-5ETHYL 4-(1H-PYRAZOL-1-YL)BENZOATEDTXSID00359580RefChem:343647DTXCID80310634Ethyl 4-(1-Pyrazolyl)benzoateethyl 4-pyrazol-1-ylbenzoateMFCD05994003Ethyl4-(1-Pyrazolyl)benzoateBenzoic acid, 4-(1H-pyrazol-1-yl)-, ethyl esterethyl 4-pyrazolylbenzoateSCHEMBL1363765

Show more names

2800-A1Ethyl 4-(1H-Pyrazol-1-yl)benzBenzoic acid,4-(1H-pyrazol-1-yl)-, ethyl ester

SCHEMBL7117423OJGQSNIJSFGVJG-UHFFFAOYSA-NAKOS0023103304-pyrazol-1-yl benzoic acid ethyl esterAS-31562SY003680DB-018680CS-0313703

Database identifiers

CAS: 143426-47-5
PubChem CID: 973146
DTXSID: DTXSID00359580
Nikkaji: J648.455G

Properties

Computed structural properties

XLogP: 2.4
Topological polar surface area: 44.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 4
Heavy atoms: 16
Formal charge: 0
Complexity: 237

Physicochemical properties

Melting point: 66 °C · 66 °C
Boiling point: 333.2 · 333.2±25.0 °C(Predicted)
Density: 1.15 · 1.15±0.1 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
pka: -0.33 · -0.33±0.10(Predicted)
Symbol(GHS): 6 · GHS06
Signal word: Danger
Hazard statements: 301 · H301-H311-H331
Precautionary statements: 261 · P261-P264-P270-P271-P280-P302+P352-P304+P340-P310-P330-P361-P403+P233-P405-P501

Safety & regulation

Safety data

Signal word: Danger
Symbol(GHS): GHS06
Hazard statements: H301-H311-H331
Precautionary statements: P261-P264-P270-P271-P280-P302+P352-P304+P340-P310-P330-P361-P403+P233-P405-P501