5-Methyl-2-[(2-nitrophenyl)amino]thiophene-3-carbonitrile
![5-Methyl-2-[(2-nitrophenyl)amino]thiophene-3-carbonitrile Structure](https://image.chemsrc.com/caspic/050/138564-59-7.png)
5-Methyl-2-[(2-nitrophenyl)amino]thiophene-3-carbonitrile structure
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Common Name | 5-Methyl-2-[(2-nitrophenyl)amino]thiophene-3-carbonitrile | ||
|---|---|---|---|---|
| CAS Number | 138564-59-7 | Molecular Weight | 259.284 | |
| Density | 1.4±0.1 g/cm3 | Boiling Point | 425.4±45.0 °C at 760 mmHg | |
| Molecular Formula | C12H9N3O2S | Melting Point | 111 °C | |
| MSDS | N/A | Flash Point | 211.1±28.7 °C | |
| Symbol |
GHS07, GHS09 |
Signal Word | Warning | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 5-Methyl-2-[(2-nitrophenyl)amino]-3-thiophenecarbonitrile |
|---|---|
| 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 | 1.4±0.1 g/cm3 |
|---|---|
| Boiling Point | 425.4±45.0 °C at 760 mmHg |
| Melting Point | 111 °C |
| Molecular Formula | C12H9N3O2S |
| Molecular Weight | 259.284 |
| Flash Point | 211.1±28.7 °C |
| Exact Mass | 259.041534 |
| PSA | 109.88000 |
| LogP | 3.78 |
| Vapour Pressure | 0.0±1.0 mmHg at 25°C |
| Index of Refraction | 1.659 |
| InChIKey | NPXUFPFFHANGDL-UHFFFAOYSA-N |
| SMILES | Cc1cc(C#N)c(Nc2ccccc2[N+](=O)[O-])s1 |
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, GHS09 |
|---|---|
| Signal Word | Warning |
| Hazard Statements | H319-H410 |
| Precautionary Statements | P305 + P351 + P338 |
| Hazard Codes | N |
| Risk Phrases | 22-50/53 |
| Safety Phrases | 22-60-61 |
| RIDADR | 3077.0 |
| HS Code | 2934999090 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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5-Methyl-2-[(2-... CAS#:138564-59-7 |
| Literature: Hartwig, Jan; Ceylan, Sascha; Kupracz, Lukas; Coutable, Ludovic; Kirschning, Andreas Angewandte Chemie - International Edition, 2013 , vol. 52, # 37 p. 9813 - 9817 Angew. Chem., 2013 , vol. 125, # 37 p. 9995 - 9999,5 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 2 | |
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| DownStream 4 | |
CAS#:132539-06-1![2-Methyl-4-(1-piperazinyl)-10H-thienol[2,3-b][1,5]benzodiazepine structure](https://image.chemsrc.com/caspic/260/161696-76-0.png)
CAS#:161696-76-0
CAS#:873895-41-1
CAS#:612503-08-9This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2934999090 |
|---|---|
| Summary | 2934999090. other heterocyclic compounds. 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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Crystalline polymorph selection and discovery with polymer heteronuclei.
J. Am. Chem. Soc. 127(15) , 5512-7, (2005) The discovery and selective production of crystalline polymorphs, an outstanding problem in solid-state chemistry, is of great importance industrially in, for example, the manufacture of pharmaceutica... |
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Polymorphism in molecular solids: an extraordinary system of red, orange, and yellow crystals.
Acc. Chem. Res. 43(9) , 1257-66, (2010) Diamond and graphite are polymorphs of each other: they have the same composition but different structures and properties. Many other substances exhibit polymorphism: inorganic and organic, natural an... |
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Selective nucleation and discovery of organic polymorphs through epitaxy with single crystal substrates.
J. Am. Chem. Soc. 123(44) , 10830-9, (2001) Crystallization of 5-methyl-2-[(2-nitrophenyl)amino]-3-thiophenecarbonitrile (1), previously found to produce six conformational polymorphs from solution, on single-crystal pimelic acid (PA) substrate... |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| Olanzapine impurity A |
| 5-Methyl-2-(2-nitroanilino)-3-thiophenecarbonitrile |
| T5SJ BMR BNW& CCN E1 |
| 3-Cyano-5-methyl-2-(2-nitroanilino)thiophene |
| EINECS 421-300-1 |
| MFCD06408054 |
| 5-Methyl-2-(2-nitroanilino)thiophene-3-carbonitrile |
| 5-Methyl-2-(2-nitroanilino)-3-thiophenecarbonitrile |
| 5-Methyl-2-[(2-nitrophenyl)amino]-3-thiophenecarbonitrile |
| 5-methyl-2-(2-nitroanilino)thiophene-3-carbonitrile |
| 5-Methyl-2-[(2-nitrophenyl)amino]thiophene-3-carbonitrile |
| Olanzapine Related Compound A |
| 5-Methyl-2-((2-nitrophenyl)amino)thiophene-3-carbonitrile |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the molecular weight of 5-Methyl-2-[(2-nitrophenyl)amino]-3-thiophenecarbonitrile? |
| A: Molecular weight of 5-Methyl-2-[(2-nitrophenyl)amino]-3-thiophenecarbonitrile is 259.284. |
| Q: What is the melting point of 5-Methyl-2-[(2-nitrophenyl)amino]-3-thiophenecarbonitrile? |
| A: Melting point of 5-Methyl-2-[(2-nitrophenyl)amino]-3-thiophenecarbonitrile is 111 °C. |
| Q: What are the downstream products of 5-Methyl-2-[(2-nitrophenyl)amino]-3-thiophenecarbonitrile? |
| A: Related downstream products(CAS) of 5-Methyl-2-[(2-nitrophenyl)amino]-3-thiophenecarbonitrile: 132539-06-1;161696-76-0;873895-41-1;612503-08-9. |
| Q: What is the molecular formula of 5-Methyl-2-[(2-nitrophenyl)amino]-3-thiophenecarbonitrile? |
| A: Molecular formula of 5-Methyl-2-[(2-nitrophenyl)amino]-3-thiophenecarbonitrile is C12H9N3O2S. |
| Q: What is the InChIKey of 5-Methyl-2-[(2-nitrophenyl)amino]-3-thiophenecarbonitrile? |
| A: InChIKey of 5-Methyl-2-[(2-nitrophenyl)amino]-3-thiophenecarbonitrile is NPXUFPFFHANGDL-UHFFFAOYSA-N. |
| Q: What is the LogP of 5-Methyl-2-[(2-nitrophenyl)amino]-3-thiophenecarbonitrile? |
| A: LogP of 5-Methyl-2-[(2-nitrophenyl)amino]-3-thiophenecarbonitrile is 3.78. |
| Q: What is the safety information for 5-Methyl-2-[(2-nitrophenyl)amino]-3-thiophenecarbonitrile? |
| A: Safety information for 5-Methyl-2-[(2-nitrophenyl)amino]-3-thiophenecarbonitrile: 22-60-61. |
| Q: What is the SMILES notation of 5-Methyl-2-[(2-nitrophenyl)amino]-3-thiophenecarbonitrile? |
| A: SMILES notation of 5-Methyl-2-[(2-nitrophenyl)amino]-3-thiophenecarbonitrile is Cc1cc(C#N)c(Nc2ccccc2[N+](=O)[O-])s1. |
| Q: What is the CAS number of 5-Methyl-2-[(2-nitrophenyl)amino]-3-thiophenecarbonitrile? |
| A: CAS number of 5-Methyl-2-[(2-nitrophenyl)amino]-3-thiophenecarbonitrile is 138564-59-7. |
| Q: What is the English name of 5-Methyl-2-[(2-nitrophenyl)amino]-3-thiophenecarbonitrile? |
| A: The English name of 5-Methyl-2-[(2-nitrophenyl)amino]-3-thiophenecarbonitrile is 5-Methyl-2-[(2-nitrophenyl)amino]-3-thiophenecarbonitrile. |
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. |
| Henan Tianfu Chemical Co., Ltd. |