3,5-dimethyl-1H-pyrrole-2-carbonitrile
3,5-dimethyl-1H-pyrrole-2-carbonitrile structure
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Common Name | 3,5-dimethyl-1H-pyrrole-2-carbonitrile | ||
|---|---|---|---|---|
| CAS Number | 4513-92-2 | Molecular Weight | 120.15200 | |
| Density | 1.07g/cm3 | Boiling Point | 273.6ºC at 760 mmHg | |
| Molecular Formula | C7H8N2 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 103.1ºC | |
Summary: 3,5-dimethyl-1H-pyrrole-2-carbonitrile (Chinese name: 3,5-二甲基吡咯-2-甲腈，CAS number: 4513-92-2)，molecular formula C7H8N2，molecular weight 120.15200，boiling point 273.6ºC，density 1.07g/cm3. 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 | 3,5-dimethyl-1H-pyrrole-2-carbonitrile |
|---|---|
| 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 | 1.07g/cm3 |
|---|---|
| Boiling Point | 273.6ºC at 760 mmHg |
| Molecular Formula | C7H8N2 |
| Molecular Weight | 120.15200 |
| Flash Point | 103.1ºC |
| Exact Mass | 120.06900 |
| PSA | 39.58000 |
| LogP | 1.50318 |
| Index of Refraction | 1.529 |
| InChIKey | CTILJTUXIQXEOW-UHFFFAOYSA-N |
| SMILES | Cc1cc(C)c(C#N)[nH]1 |
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| HS Code | 2933990090 |
|---|
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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~91%
3,5-dimethyl-1H... CAS#:4513-92-2 |
| Literature: Zhang, Lianpeng; Wen, Qiaodong; Jin, Jisong; Wang, Chen; Lu, Ping; Wang, Yanguang Tetrahedron, 2013 , vol. 69, # 21 p. 4236 - 4240 |
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~63%
3,5-dimethyl-1H... CAS#:4513-92-2 |
| Literature: Damke, Jan-Erik; Koenig, Torben; Haake, Gerold; Latos-Grazynski, Lechoslaw; Monltorls, Franz-Peter Heterocycles, 2011 , vol. 82, # 2 p. 1503 - 1514 |
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~26%
3,5-dimethyl-1H... CAS#:4513-92-2 |
| Literature: Cheng, Lingjiang; Lightner, David A. Synthesis, 1999 , # 1 p. 46 - 48 |
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~38%
3,5-dimethyl-1H... CAS#:4513-92-2 |
| Literature: Alberola, Angel; Andres, Jose M.; Gonzalez, Alfonso; Pedrosa, Rafael; Vicente, Martina Heterocycles, 1990 , vol. 31, # 6 p. 1049 - 1058 |
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~%
3,5-dimethyl-1H... CAS#:4513-92-2 |
| Literature: Wentrup, Curt; Lan, Nguyen Mong; Lukosch, Adelheid; Bednarek, Pawel; Kvaskoff, David Beilstein Journal of Organic Chemistry, 2013 , vol. 9, p. 743 - 753 |
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~%
3,5-dimethyl-1H... CAS#:4513-92-2 |
| Literature: Alberola, Angel; Andres, Jose M.; Gonzalez, Alfonso; Pedrosa, Rafael; Vicente, Martina Heterocycles, 1990 , vol. 31, # 6 p. 1049 - 1058 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 7 | |
|---|---|
| DownStream 3 | |
CAS#:524035-96-9This 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 collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 5-cyano-2,4-dimethyl-pyrrole |
| 2-cyano-3,5-dimethylpyrrole |
| 3,5-dimethyl-pyrrole-2-carbonitrile |
| 3,5-dimethyl-2-cyanopyrrole |
| 3,5-Dimethyl-pyrrol-2-carbonitril |
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 3,5-dimethyl-1H-pyrrole-2-carbonitrile? |
| A: Boiling point of 3,5-dimethyl-1H-pyrrole-2-carbonitrile is 273.6ºC at 760 mmHg. |
| Q: What is the molecular weight of 3,5-dimethyl-1H-pyrrole-2-carbonitrile? |
| A: Molecular weight of 3,5-dimethyl-1H-pyrrole-2-carbonitrile is 120.15200. |
| Q: What is the LogP of 3,5-dimethyl-1H-pyrrole-2-carbonitrile? |
| A: LogP of 3,5-dimethyl-1H-pyrrole-2-carbonitrile is 1.50318. |
| Q: What English synonyms does 3,5-dimethyl-1H-pyrrole-2-carbonitrile have? |
| A: English synonyms of 3,5-dimethyl-1H-pyrrole-2-carbonitrile: 5-cyano-2,4-dimethyl-pyrrole, 2-cyano-3,5-dimethylpyrrole, 3,5-dimethyl-pyrrole-2-carbonitrile, 3,5-dimethyl-2-cyanopyrrole, 3,5-Dimethyl-pyrrol-2-carbonitril. |
| Q: What is the molecular formula of 3,5-dimethyl-1H-pyrrole-2-carbonitrile? |
| A: Molecular formula of 3,5-dimethyl-1H-pyrrole-2-carbonitrile is C7H8N2. |
| Q: What are the upstream materials of 3,5-dimethyl-1H-pyrrole-2-carbonitrile? |
| A: Related upstream materials(CAS) of 3,5-dimethyl-1H-pyrrole-2-carbonitrile: 140-29-4;61295-92-9;123-54-6;3849-21-6;59132-86-4;26187-29-1;1118-66-7. |
| Q: What is the CAS number of 3,5-dimethyl-1H-pyrrole-2-carbonitrile? |
| A: CAS number of 3,5-dimethyl-1H-pyrrole-2-carbonitrile is 4513-92-2. |
| Q: What is the InChIKey of 3,5-dimethyl-1H-pyrrole-2-carbonitrile? |
| A: InChIKey of 3,5-dimethyl-1H-pyrrole-2-carbonitrile is CTILJTUXIQXEOW-UHFFFAOYSA-N. |
| Q: What is the English name of 3,5-dimethyl-1H-pyrrole-2-carbonitrile? |
| A: The English name of 3,5-dimethyl-1H-pyrrole-2-carbonitrile is 3,5-dimethyl-1H-pyrrole-2-carbonitrile. |
| Q: What is the polar surface area (PSA) of 3,5-dimethyl-1H-pyrrole-2-carbonitrile? |
| A: Polar surface area (PSA) of 3,5-dimethyl-1H-pyrrole-2-carbonitrile is 39.58000. |