1-methyl-5-phenyl-1H-pyrazole-4-carboxylic acid - CAS 105994-75-0
Catalog: |
BB001750 |
Product Name: |
1-methyl-5-phenyl-1H-pyrazole-4-carboxylic acid |
CAS: |
105994-75-0 |
Synonyms: |
1-methyl-5-phenyl-4-pyrazolecarboxylic acid; 1-methyl-5-phenylpyrazole-4-carboxylic acid |
IUPAC Name: | 1-methyl-5-phenylpyrazole-4-carboxylic acid |
Description: | 1-methyl-5-phenyl-1H-pyrazole-4-carboxylic acid (CAS# 105994-75-0) is a useful research chemical. |
Molecular Weight: | 202.21 |
Molecular Formula: | C11H10N2O2 |
Canonical SMILES: | CN1C(=C(C=N1)C(=O)O)C2=CC=CC=C2 |
InChI: | InChI=1S/C11H10N2O2/c1-13-10(8-5-3-2-4-6-8)9(7-12-13)11(14)15/h2-7H,1H3,(H,14,15) |
InChI Key: | MXGOKNNGBUOAGF-UHFFFAOYSA-N |
Boiling Point: | 367 ℃ at 760 mmHg |
Melting Point: | 215-216 ℃ |
Purity: | 95 % |
Density: | 1.24 g/cm3 |
Storage: | Sealed in dry, Room Temperature |
MDL: | MFCD04038957 |
LogP: | 1.78530 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
TW-201925413-A | Chemical mechanical polishing composition | 20171122 |
WO-2019101555-A1 | Chemical mechanical polishing composition | 20171122 |
CN-111356747-A | Chemical mechanical polishing composition | 20171122 |
EP-3714012-A1 | Chemical mechanical polishing composition | 20171122 |
KR-20200086347-A | Chemical mechanical polishing composition | 20171122 |
Complexity: | 239 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 202.074227566 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 202.074227566 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 55.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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