4-antipyrinecarboxaldehyde
4-antipyrinecarboxaldehyde structure
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Common Name | 4-antipyrinecarboxaldehyde | ||
|---|---|---|---|---|
| CAS Number | 950-81-2 | Molecular Weight | 216.23600 | |
| Density | 1.292g/cm3 | Boiling Point | 334.8ºC at 760mmHg | |
| Molecular Formula | C12H12N2O2 | Melting Point | 162-165 °C(lit.) | |
| MSDS | Chinese USA | Flash Point | 145.4ºC | |
| Symbol |
GHS07 |
Signal Word | Warning | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carbaldehyde |
|---|---|
| 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 | 1.292g/cm3 |
|---|---|
| Boiling Point | 334.8ºC at 760mmHg |
| Melting Point | 162-165 °C(lit.) |
| Molecular Formula | C12H12N2O2 |
| Molecular Weight | 216.23600 |
| Flash Point | 145.4ºC |
| Exact Mass | 216.09000 |
| PSA | 44.00000 |
| LogP | 1.29690 |
| Index of Refraction | 1.651 |
| InChIKey | QFYZFYDOEJZMDX-UHFFFAOYSA-N |
| SMILES | Cc1c(C=O)c(=O)n(-c2ccccc2)n1C |
This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Symbol |
GHS07 |
|---|---|
| Signal Word | Warning |
| Hazard Statements | H315-H319-H335 |
| Precautionary Statements | P261-P305 + P351 + P338 |
| Personal Protective Equipment | dust mask type N95 (US);Eyeshields;Gloves |
| Hazard Codes | Xi: Irritant; |
| Risk Phrases | R36/37/38 |
| Safety Phrases | S26-S36 |
| RIDADR | NONH for all modes of transport |
| WGK Germany | 3 |
| HS Code | 2933199090 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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4-antipyrinecar... CAS#:950-81-2 |
| Literature: Chemical and Pharmaceutical Bulletin, , vol. 6, p. 374,376 |
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| Literature: US2622086 , ; Justus Liebigs Annalen der Chemie, , vol. 563, p. 1,9 |
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4-antipyrinecar... CAS#:950-81-2 |
| Literature: Yakugaku Zasshi, , vol. 76, p. 167 Chem.Abstr., , p. 13939 |
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4-antipyrinecar... CAS#:950-81-2 |
| Literature: Pharmaceutical Bulletin, , vol. 3, p. 393 |
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| Literature: DE848954 , ; DRP/DRBP Org.Chem. |
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| Literature: Bulletin de la Societe Chimique de France, , p. 398 |
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| Literature: Bulletin de la Societe Chimique de France, , p. 398 |
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4-antipyrinecar... CAS#:950-81-2 |
| Literature: DE900577 , ; |
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4-antipyrinecar... CAS#:950-81-2 |
| Literature: Journal fuer Praktische Chemie (Leipzig), , vol. 322, # 4 p. 543 - 553 |
This 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 lists relevant public references with title, journal and publication metadata for this compound.
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Preparation and spectroscopic characterization of iron (II) and copper (II) complexes of a functionalized crown ether. Hayvali Z.
Transit. Met. Chem. 34(1) , 97-101, (2009)
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This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: Primary cell-based high-throughput screening assay for identification of compounds th...
Source: Johns Hopkins Ion Channel Center
Target: regulator of G-protein signaling 4 isoform 2 [Homo sapiens]
External Id: JHICC_RGS_Act_HTS
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Name: Luminescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: mu-type opioid receptor isoform MOR-1 [Homo sapiens]
External Id: OPRM1-OPRD1_AG_LUMI_1536_1X%ACT PRUN
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Name: QFRET-based biochemical primary high throughput screening assay to identify exosite i...
Source: The Scripps Research Institute Molecular Screening Center
Target: disintegrin and metalloproteinase domain-containing protein 17 preproprotein [Homo sapiens]
External Id: ADAM17_INH_QFRET_1536_1X%INH PRUN
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Name: Fluorescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id: CHRM1_AG_FLUO8_1536_1X%ACT PRUN
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Name: uHTS identification of small molecule activators of the adaptive arm of the Unfolded ...
Source: Burnham Center for Chemical Genomics
Target: N/A
External Id: BCCG-A405-UPR-XBP1-PrimaryAgonist-Assay
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Name: High throughput fluorescence intensity-based biochemical assay to screen for small mo...
Source: University of Pittsburgh Molecular Library Screening Center
Target: furin (paired basic amino acid cleaving enzyme), isoform CRA_a [Homo sapiens]
External Id: MH080376 Biochemical HTS for Inhibitors of the Proprotein Convertase Furin.
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Name: Fluorescence polarization to screen for inhibitor that competite the binding of FadD2...
Source: Broad Institute
Target: FATTY-ACID-CoA LIGASE FADD28 (FATTY-ACID-CoA SYNTHETASE)
External Id: 2147-01_Inhibitor_SinglePoint_HTS_Activity
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Name: Bursicon-induced LGR2 mediated cAMP production in LGR-2/CRE6x-Luciferase co-transfect...
Source: Broad Institute
Target: N/A
External Id: Bursicon-induced LGR2 mediated cAMP production in LGR-2/CRE6x-Luciferase co-transfected HEK293 cells Inhibition - 7011-01_Antagonist_SinglePoint_HTS_Activity
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Name: Fluorescence-based cell-based primary high throughput screening assay to identify pos...
Source: The Scripps Research Institute Molecular Screening Center
Target: muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id: CHRM1_PAM_FLUO8_1536_1X%ACT PRUN
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Name: Fluorescence polarization-based biochemical high throughput primary assay to identify...
Source: The Scripps Research Institute Molecular Screening Center
Target: RecName: Full=Sialate O-acetylesterase; AltName: Full=H-Lse; AltName: Full=Sialic acid-specific 9-O-acetylesterase; Flags: Precursor [Homo sapiens]
External Id: SIAE_INH_FP_1536_1X%INH PRUN
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| Antipyrinaldehyd |
| 2,3-Dihydro-1,5-Dimethyl-3-Oxo-2-Phenyl-1H-Pyrazole-4-Carboxaldehyde |
| F0348-3312 |
| 1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carbaldehyde |
| EINECS 213-452-0 |
| 4-formyl-2,3-dimethyl-1-phenyl-3-pyrazolin-5-one |
| Antipyraldehyde |
| 4-formyl-2,3-dimethyl-1-phenyl-3-pyrazoline-5-one |
| 2,3-Dimethyl-4-formyl-1-phenyl-3-pyrazolin-5-one |
| 4-Formylantipyrine |
| 1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-carboxaldehyde |
| 2,3-dimethyl-5-oxo-1-phenyl-3-pyrazoline-4-carbaldehyde |
| 4-Antipyrinecarboxaldehyde |
| 1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carboxaldehyde |
| MFCD00003144 |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the InChIKey of 1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carbaldehyde? |
| A: InChIKey of 1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carbaldehyde is QFYZFYDOEJZMDX-UHFFFAOYSA-N. |
| Q: What is the safety information for 1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carbaldehyde? |
| A: Safety information for 1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carbaldehyde: S26-S36. |
| Q: What is the boiling point of 1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carbaldehyde? |
| A: Boiling point of 1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carbaldehyde is 334.8ºC at 760mmHg. |
| Q: What is the molecular formula of 1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carbaldehyde? |
| A: Molecular formula of 1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carbaldehyde is C12H12N2O2. |
| Q: What is the LogP of 1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carbaldehyde? |
| A: LogP of 1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carbaldehyde is 1.29690. |
| Q: What is the SMILES notation of 1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carbaldehyde? |
| A: SMILES notation of 1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carbaldehyde is Cc1c(C=O)c(=O)n(-c2ccccc2)n1C. |
| Q: What is the molecular weight of 1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carbaldehyde? |
| A: Molecular weight of 1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carbaldehyde is 216.23600. |
| Q: What is the CAS number of 1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carbaldehyde? |
| A: CAS number of 1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carbaldehyde is 950-81-2. |
| Q: What is the melting point of 1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carbaldehyde? |
| A: Melting point of 1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carbaldehyde is 162-165 °C(lit.). |
| Q: What is the English name of 1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carbaldehyde? |
| A: The English name of 1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carbaldehyde is 1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carbaldehyde. |
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. |