2 6-DIPHENYLISONICOTINIC ACID
2 6-DIPHENYLISONICOTINIC ACID structure
|
Common Name | 2 6-DIPHENYLISONICOTINIC ACID | ||
|---|---|---|---|---|
| CAS Number | 38947-57-8 | Molecular Weight | 275.30100 | |
| Density | 1.219g/cm3 | Boiling Point | 548.6ºC at 760 mmHg | |
| Molecular Formula | C18H13NO2 | Melting Point | 283-286ºC(lit.) | |
| MSDS | Chinese USA | Flash Point | 285.6ºC | |
| Symbol |
GHS07 |
Signal Word | Warning | |
Summary: 2,6-Diphenylisonicotinic acid (CAS number: 38947-57-8), with molecular formula C18H13NO2 and molecular weight 275.30100. It is a solid with a melting point of 283-286℃. For research-use only, not for medical or clinical usage.
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 2,6-Diphenylisonicotinic 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 | 1.219g/cm3 |
|---|---|
| Boiling Point | 548.6ºC at 760 mmHg |
| Melting Point | 283-286ºC(lit.) |
| Molecular Formula | C18H13NO2 |
| Molecular Weight | 275.30100 |
| Flash Point | 285.6ºC |
| Exact Mass | 275.09500 |
| PSA | 50.19000 |
| LogP | 4.11380 |
| Index of Refraction | 1.631 |
| InChIKey | PWKUURSWFJBXGO-UHFFFAOYSA-N |
| SMILES | O=C(O)c1cc(-c2ccccc2)nc(-c2ccccc2)c1 |
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 | 36/37/38 |
| Safety Phrases | 26-36 |
| RIDADR | NONH for all modes of transport |
| WGK Germany | 3 |
| HS Code | 2933399090 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
|
~50%
2 6-DIPHENYLISO... CAS#:38947-57-8 |
| Literature: Giardina; Artico; Cavagnera; Cerri; Consolandi; Gagliardi; Graziani; Grugni; Hay; Luttmann; Mena; Raveglia; Rigolio; Sarau; Schmidt; Zanoni; Farina Farmaco, 1999 , vol. 54, # 6 p. 364 - 374 |
|
~70%
2 6-DIPHENYLISO... CAS#:38947-57-8 |
| Literature: Riyadh, Sayed M.; Al-Matar, Hamad M.; Elnagdi, Mohamed H. Molecules, 2008 , vol. 13, # 12 p. 3140 - 3148 |
|
~%
2 6-DIPHENYLISO... CAS#:38947-57-8 |
| Literature: Paal Chemische Berichte, 1896 , vol. 29, p. 799 Full Text Show Details Paal; Strasser Chemische Berichte, 1887 , vol. 20, p. 2760 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 3 | |
|---|---|
| DownStream 0 | |
This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2933399090 |
|---|---|
| Summary | 2933399090. other compounds containing an unfused pyridine 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.
|
Synthesis of spiro [chroman-2, 4'-piperidin]-4-one derivatives as acetyl-CoA carboxylase inhibitors. Shinde P, et al.
Bioorg. Med. Chem. Lett. 19(3) , 949-953, (2009)
|
|
|
Studies with ß-oxoalkanonitriles: Simple novel synthesis of 3-[2, 6-diaryl-4-pyridyl]-3-oxopropanenitriles. Riyadh SM, et al.
Molecules 13(12) , 3140-3148, (2008)
|
|
|
Synthesis of alkynylgold (III) complexes with bis-cyclometalating ligand derived from ethyl 2, 6-diphenylisonicotinate and their structural, electrochemical, photo-and electroluminescence studies. Au VKM, et al.
J. Organomet. Chem. 792 , 109-116, (2015)
|
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
Name: Primary Screen Inhibitors of CD40 Signaling in BL2 Cells Measured in Cell-Based Syste...
Source: Broad Institute
Target: N/A
External Id: 7124-01_Inhibitor_SinglePoint_HTS_Activity
|
|
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
|
|
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
|
|
Name: Absorbance-based primary biochemical high throughput screening assay to identify acti...
Source: The Scripps Research Institute Molecular Screening Center
Target: caspase-3 preproprotein [Homo sapiens]
External Id: PROCASPASE3_ACT_EPIABS_1536_1X%ACT PRUN
|
|
Name: uHTS identification of small molecule modulators of NR3A
Source: Burnham Center for Chemical Genomics
Target: N/A
External Id: SBCCG-A1015-NR3A-Primary-Assay
|
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| MFCD00418438 |
| 2,6-diphenylpyridine-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 melting point of 2,6-Diphenylisonicotinic acid? |
| A: Melting point of 2,6-Diphenylisonicotinic acid is 283-286ºC(lit.). |
| Q: What is the molecular formula of 2,6-Diphenylisonicotinic acid? |
| A: Molecular formula of 2,6-Diphenylisonicotinic acid is C18H13NO2. |
| Q: What is the molecular weight of 2,6-Diphenylisonicotinic acid? |
| A: Molecular weight of 2,6-Diphenylisonicotinic acid is 275.30100. |
| Q: What is the LogP of 2,6-Diphenylisonicotinic acid? |
| A: LogP of 2,6-Diphenylisonicotinic acid is 4.11380. |
| Q: What is the CAS number of 2,6-Diphenylisonicotinic acid? |
| A: CAS number of 2,6-Diphenylisonicotinic acid is 38947-57-8. |
| Q: What is the English name of 2,6-Diphenylisonicotinic acid? |
| A: The English name of 2,6-Diphenylisonicotinic acid is 2,6-Diphenylisonicotinic acid. |
| Q: What is the safety information for 2,6-Diphenylisonicotinic acid? |
| A: Safety information for 2,6-Diphenylisonicotinic acid: 26-36. |
| Q: What is the polar surface area (PSA) of 2,6-Diphenylisonicotinic acid? |
| A: Polar surface area (PSA) of 2,6-Diphenylisonicotinic acid is 50.19000. |
| Q: What are the upstream materials of 2,6-Diphenylisonicotinic acid? |
| A: Related upstream materials(CAS) of 2,6-Diphenylisonicotinic acid: 17812-07-6;16883-69-5;77953-17-4. |
| Q: What English synonyms does 2,6-Diphenylisonicotinic acid have? |
| A: English synonyms of 2,6-Diphenylisonicotinic acid: MFCD00418438, 2,6-diphenylpyridine-4-carboxylic acid. |
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. |