1-Phenyl-1H-pyrazole-4-carboxylic acid - CAS 1134-50-5
Catalog: |
BB003181 |
Product Name: |
1-Phenyl-1H-pyrazole-4-carboxylic acid |
CAS: |
1134-50-5 |
Synonyms: |
1-phenylpyrazole-4-carboxylic acid |
IUPAC Name: | 1-phenylpyrazole-4-carboxylic acid |
Description: | 1-Phenyl-1H-pyrazole-4-carboxylic acid (CAS# 1134-50-5) is a useful research chemical. |
Molecular Weight: | 188.18 |
Molecular Formula: | C10H8N2O2 |
Canonical SMILES: | C1=CC=C(C=C1)N2C=C(C=N2)C(=O)O |
InChI: | InChI=1S/C10H8N2O2/c13-10(14)8-6-11-12(7-8)9-4-2-1-3-5-9/h1-7H,(H,13,14) |
InChI Key: | ZROILLPDIUNLSE-UHFFFAOYSA-N |
Boiling Point: | 379.6 ℃ at 760 mmHg |
Purity: | 95 % |
Density: | 1.28 g/cm3 |
Appearance: | Light yellow powder |
MDL: | MFCD00190139 |
LogP: | 1.57050 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-111004399-A | Synthesis method of novel coordination polymer | 20200107 |
EP-3822265-A1 | Substituted hydantoinamides as adamts7 antagonists | 20191115 |
WO-2021094434-A1 | Substituted hydantoinamides as adamts7 antagonists | 20191115 |
CN-110563653-A | asymmetric alkyl pyrazole ionic liquid, preparation method thereof and application of ionic liquid as metal corrosion inhibitor | 20190813 |
WO-2021028645-A1 | Plasma kallikrein inhibitors | 20190809 |
Complexity: | 214 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 188.058577502 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 188.058577502 |
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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Related Functional Groups
Pyrazoles
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