1,2,4,5-Tetrazine,3,6-diphenyl
1,2,4,5-Tetrazine,3,6-diphenyl structure
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Common Name | 1,2,4,5-Tetrazine,3,6-diphenyl | ||
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| CAS Number | 6830-78-0 | Molecular Weight | 234.25600 | |
| Density | 1.214 g/cm3 | Boiling Point | 446ºC at 760 mmHg | |
| Molecular Formula | C14H10N4 | Melting Point | 198ºC | |
| MSDS | Chinese USA | Flash Point | 208.7ºC | |
| Symbol |
GHS07 |
Signal Word | Warning | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 3,6-Diphenyl-1,2,4,5-tetrazine |
|---|---|
| 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 | 1.214 g/cm3 |
|---|---|
| Boiling Point | 446ºC at 760 mmHg |
| Melting Point | 198ºC |
| Molecular Formula | C14H10N4 |
| Molecular Weight | 234.25600 |
| Flash Point | 208.7ºC |
| Exact Mass | 234.09100 |
| PSA | 51.56000 |
| LogP | 2.60060 |
| InChIKey | XAUWSIIGUUMHQQ-UHFFFAOYSA-N |
| SMILES | c1ccc(-c2nnc(-c3ccccc3)nn2)cc1 |
This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.
This table summarizes toxicological test data, acute & chronic toxicity and ecological hazard parameters for this chemical.
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATAACUTE TOXICITY DATA
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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 |
| Risk Phrases | R36/37/38 |
| Safety Phrases | S26-S36 |
| RIDADR | NONH for all modes of transport |
| RTECS | XF6863300 |
| HS Code | 2933990090 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 10 | |
|---|---|
| DownStream 9 | |
CAS#:14478-73-0
CAS#:69374-62-5
CAS#:100-47-0
CAS#:87268-78-8
CAS#:140-53-4
CAS#:104-47-2
CAS#:62008-66-6
CAS#:18039-42-4
CAS#:2397-26-4
CAS#:611-74-5
CAS#:493-77-6
CAS#:2242-68-4
CAS#:75-31-0
CAS#:725-12-2
CAS#:100-52-7
CAS#:65-85-0
CAS#:24108-44-9
CAS#:588-68-1This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2933990090 |
|---|---|
| Summary | 2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. 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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Clicking 1,2,4,5-tetrazine and cyclooctynes with tunable reaction rates.
Chem. Commun. (Camb.) 48(12) , 1736-8, (2012) Substituted tetrazines have been found to undergo facile inverse electron demand Diels-Alder reactions with "tunable" reaction rates.This journal is © The Royal Society of Chemistry 2012 |
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Facile, completely regioselective 1,4-hydrogenations of C(60)-diaryltetrazine monoadducts
Org. Lett. 2(20) , 3091-4, (2000) Thermal Diels-Alder reactions between C(60) and electron-deficient 3, 6-diaryl-1,2,4,5-tetrazines yield monoadducts possessing a diaryldihydropyridazine function nested atop the fullerene. The diaryld... |
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Reaction of 3, 6-diphenyl-1, 2, 4, 5-tetrazine with cis, cis-1, 5-cyclooctadiene: An attempt at preparing some dihydropyridazine derivatives. Satish S, et al.
Tetrahedron 35(2) , 277-85, (1979)
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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: In vitro rate of inhibition of P388 tumor cell growth at 10E-5 mol/L
Source: ChEMBL
Target: P388
External Id: CHEMBL758924
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Name: In vitro rate of inhibition of P388 tumor cell growth at 10E-6 mol/L
Source: ChEMBL
Target: P388
External Id: CHEMBL759602
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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: In vitro rate of inhibition of P388 tumor cell growth at 10E-4 mol/L
Source: ChEMBL
Target: P388
External Id: CHEMBL880948
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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: In vitro rate of inhibition of P388 tumor cell growth at 10E-7 mol/L
Source: ChEMBL
Target: P388
External Id: CHEMBL759603
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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: In vitro rate of inhibition of P388 tumor cell growth at 10E-8 mol/L
Source: ChEMBL
Target: P388
External Id: CHEMBL759604
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Name: Antibacterial activity against Klebsiella pneumoniae MDR ATCC 70063 (CO-ADD:GN_003); ...
Source: ChEMBL
Target: Klebsiella pneumoniae
External Id: CHEMBL4296186
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 3,6-diphenyl-1,2,4,5-tetrazine |
| MFCD00023646 |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the boiling point of 3,6-Diphenyl-1,2,4,5-tetrazine? |
| A: Boiling point of 3,6-Diphenyl-1,2,4,5-tetrazine is 446ºC at 760 mmHg. |
| Q: What is the safety information for 3,6-Diphenyl-1,2,4,5-tetrazine? |
| A: Safety information for 3,6-Diphenyl-1,2,4,5-tetrazine: S26-S36. |
| Q: What is the English name of 3,6-Diphenyl-1,2,4,5-tetrazine? |
| A: The English name of 3,6-Diphenyl-1,2,4,5-tetrazine is 3,6-Diphenyl-1,2,4,5-tetrazine. |
| Q: What is the LogP of 3,6-Diphenyl-1,2,4,5-tetrazine? |
| A: LogP of 3,6-Diphenyl-1,2,4,5-tetrazine is 2.60060. |
| Q: What is the CAS number of 3,6-Diphenyl-1,2,4,5-tetrazine? |
| A: CAS number of 3,6-Diphenyl-1,2,4,5-tetrazine is 6830-78-0. |
| Q: What is the molecular formula of 3,6-Diphenyl-1,2,4,5-tetrazine? |
| A: Molecular formula of 3,6-Diphenyl-1,2,4,5-tetrazine is C14H10N4. |
| Q: What are the downstream products of 3,6-Diphenyl-1,2,4,5-tetrazine? |
| A: Related downstream products(CAS) of 3,6-Diphenyl-1,2,4,5-tetrazine: 493-77-6;2242-68-4;75-31-0;14478-73-0;725-12-2;100-52-7;65-85-0;24108-44-9;588-68-1. |
| Q: What is the SMILES notation of 3,6-Diphenyl-1,2,4,5-tetrazine? |
| A: SMILES notation of 3,6-Diphenyl-1,2,4,5-tetrazine is c1ccc(-c2nnc(-c3ccccc3)nn2)cc1. |
| Q: What is the melting point of 3,6-Diphenyl-1,2,4,5-tetrazine? |
| A: Melting point of 3,6-Diphenyl-1,2,4,5-tetrazine is 198ºC. |
| Q: What is the molecular weight of 3,6-Diphenyl-1,2,4,5-tetrazine? |
| A: Molecular weight of 3,6-Diphenyl-1,2,4,5-tetrazine is 234.25600. |
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. |