3-Phenyl-1H-pyrazole-4-carboxylic acid
3-Phenyl-1H-pyrazole-4-carboxylic acid structure
|
Common Name | 3-Phenyl-1H-pyrazole-4-carboxylic acid | ||
|---|---|---|---|---|
| CAS Number | 5504-65-4 | Molecular Weight | 188.18300 | |
| Density | 1.356g/cm3 | Boiling Point | 429.978ºC at 760 mmHg | |
| Molecular Formula | C10H8N2O2 | Melting Point | 278ºC (dec.)(lit.) | |
| MSDS | Chinese USA | Flash Point | 213.843ºC | |
| Symbol |
GHS07 |
Signal Word | Warning | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 5-phenyl-1H-pyrazole-4-carboxylic acid |
|---|---|
| Synonym | More Synonyms |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Density | 1.356g/cm3 |
|---|---|
| Boiling Point | 429.978ºC at 760 mmHg |
| Melting Point | 278ºC (dec.)(lit.) |
| Molecular Formula | C10H8N2O2 |
| Molecular Weight | 188.18300 |
| Flash Point | 213.843ºC |
| Exact Mass | 188.05900 |
| PSA | 65.98000 |
| LogP | 1.77490 |
| Index of Refraction | 1.645 |
| InChIKey | LGTJKUYVFSBOMC-UHFFFAOYSA-N |
| SMILES | O=C(O)c1cn[nH]c1-c1ccccc1 |
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Symbol |
GHS07 |
|---|---|
| Signal Word | Warning |
| Hazard Statements | H319 |
| Precautionary Statements | P305 + P351 + P338 |
| Personal Protective Equipment | Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter |
| Hazard Codes | Xi |
| Safety Phrases | 22-24/25 |
| RIDADR | NONH for all modes of transport |
| HS Code | 2933199090 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 5 | |
|---|---|
| DownStream 2 | |
CAS#:26033-20-5
CAS#:861585-88-8
CAS#:2492-30-0
CAS#:98-86-2
CAS#:21031-22-1
CAS#:2458-26-6This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2933199090 |
|---|---|
| Summary | 2933199090. other compounds containing an unfused pyrazole ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: Discovery of Small Molecules to Inhibit Human Cytomegalovirus Nuclear Egress
Source: ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
Target: HCMV UL50
External Id: HMS1262
|
|
Name: High-throughput screen for inhibitors of the GIV GBA-motif interaction with Galpha-i ...
Source: ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
External Id: HMS1303
|
|
Name: A screen for compounds that inhibit the activity of LtaS in Staphylococcus aureus
Source: ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
External Id: HMS979
|
|
Name: Alphascreen assay for small molecules abrogating mHTT-CaM Interaction
Source: 24983
Target: Huntingtin
External Id: KUHTS-Muma KU-CaM-Htt INH-01
|
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 3-Phenyl-1(2)H-pyrazol-4-carbonsaeure |
| 3(5)-Phenylpyrazole-4-carboxylic acid |
| 3-phenyl-1(2)H-pyrazole-4-carboxylic acid |
| MFCD06798067 |
| 3-Phenylpyrazol-4-carbonsaeure |
| 3-phenyl-1H-pyrazole-4-carboxylic acid |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the LogP of 5-phenyl-1H-pyrazole-4-carboxylic acid? |
| A: LogP of 5-phenyl-1H-pyrazole-4-carboxylic acid is 1.77490. |
| Q: What is the molecular formula of 5-phenyl-1H-pyrazole-4-carboxylic acid? |
| A: Molecular formula of 5-phenyl-1H-pyrazole-4-carboxylic acid is C10H8N2O2. |
| Q: What is the polar surface area (PSA) of 5-phenyl-1H-pyrazole-4-carboxylic acid? |
| A: Polar surface area (PSA) of 5-phenyl-1H-pyrazole-4-carboxylic acid is 65.98000. |
| Q: What are the upstream materials of 5-phenyl-1H-pyrazole-4-carboxylic acid? |
| A: Related upstream materials(CAS) of 5-phenyl-1H-pyrazole-4-carboxylic acid: 26033-20-5;861585-88-8;2492-30-0;98-86-2;21031-22-1. |
| Q: What is the safety information for 5-phenyl-1H-pyrazole-4-carboxylic acid? |
| A: Safety information for 5-phenyl-1H-pyrazole-4-carboxylic acid: 22-24/25. |
| Q: What is the melting point of 5-phenyl-1H-pyrazole-4-carboxylic acid? |
| A: Melting point of 5-phenyl-1H-pyrazole-4-carboxylic acid is 278ºC (dec.)(lit.). |
| Q: What is the CAS number of 5-phenyl-1H-pyrazole-4-carboxylic acid? |
| A: CAS number of 5-phenyl-1H-pyrazole-4-carboxylic acid is 5504-65-4. |
| Q: What is the molecular weight of 5-phenyl-1H-pyrazole-4-carboxylic acid? |
| A: Molecular weight of 5-phenyl-1H-pyrazole-4-carboxylic acid is 188.18300. |
| Q: What is the SMILES notation of 5-phenyl-1H-pyrazole-4-carboxylic acid? |
| A: SMILES notation of 5-phenyl-1H-pyrazole-4-carboxylic acid is O=C(O)c1cn[nH]c1-c1ccccc1. |
| Q: What is the InChIKey of 5-phenyl-1H-pyrazole-4-carboxylic acid? |
| A: InChIKey of 5-phenyl-1H-pyrazole-4-carboxylic acid is LGTJKUYVFSBOMC-UHFFFAOYSA-N. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |
| Dayang Chem (Hangzhou) Co., Ltd. |