1,4-Benzenediacetonitrile,2,3,5,6-tetramethyl
1,4-Benzenediacetonitrile,2,3,5,6-tetramethyl structure
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Common Name | 1,4-Benzenediacetonitrile,2,3,5,6-tetramethyl | ||
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| CAS Number | 1675-71-4 | Molecular Weight | 212.29000 | |
| Density | 1.025g/cm3 | Boiling Point | 394ºC at 760mmHg | |
| Molecular Formula | C14H16N2 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 186.3ºC | |
Summary: 2-[4-(cyanomethyl)-2,3,5,6-tetramethylphenyl]acetonitrile, also known as 1,4-benzenediacetonitrile, 2,3,5,6-tetramethyl-, is an important organic compound with CAS number 1675-71-4, molecular formula C14H16N2, and molecular weight 212.29000. 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-[4-(cyanomethyl)-2,3,5,6-tetramethylphenyl]acetonitrile |
|---|---|
| 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 | 1.025g/cm3 |
|---|---|
| Boiling Point | 394ºC at 760mmHg |
| Molecular Formula | C14H16N2 |
| Molecular Weight | 212.29000 |
| Flash Point | 186.3ºC |
| Exact Mass | 212.13100 |
| PSA | 47.58000 |
| LogP | 3.05236 |
| Vapour Pressure | 2.04E-06mmHg at 25°C |
| Index of Refraction | 1.535 |
| InChIKey | CDHFCWXYLKPCJG-UHFFFAOYSA-N |
| SMILES | Cc1c(C)c(CC#N)c(C)c(C)c1CC#N |
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| HS Code | 2926909090 |
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This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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~91%
1,4-Benzenediac... CAS#:1675-71-4 |
| Literature: Chemische Berichte, , vol. 120, p. 541 - 550 |
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~%
1,4-Benzenediac... CAS#:1675-71-4 |
| Literature: Journal of Organic Chemistry USSR (English Translation), , vol. 21, # 8 p. 1609 - 1618 Zhurnal Organicheskoi Khimii, , vol. 21, # 8 p. 1762 - 1772 |
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~%
1,4-Benzenediac... CAS#:1675-71-4 |
| Literature: Journal of Organic Chemistry USSR (English Translation), , vol. 21, # 8 p. 1609 - 1618 Zhurnal Organicheskoi Khimii, , vol. 21, # 8 p. 1762 - 1772 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 4 | |
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| DownStream 0 | |
This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2926909090 |
|---|---|
| Summary | HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0% |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: NCI human tumor cell line growth inhibition assay. Data for the MCF7 Non-Small Cell L...
Source: DTP/NCI
Target: N/A
External Id: MCF7_OneDose
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Name: NCI human tumor cell line growth inhibition assay. Data for the IGROV1 Non-Small Cell...
Source: DTP/NCI
Target: N/A
External Id: IGROV1_OneDose
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 1,4-Benzenediacetonitrile,2,3,5,6-tetramethyl |
| 4-Cyanomethyl-2,3,5,6-tetramethylbenzylcyanid |
| Bis-cyanmethyl-duren |
| 2,3,5,6-tetramethylphenylene-1,4-diacetonitrile |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the Chinese name of 1675-71-4? |
| A: Chinese name of 1675-71-4 is 1675-71-4. |
| Q: What is the polar surface area (PSA) of 2-[4-(cyanomethyl)-2,3,5,6-tetramethylphenyl]acetonitrile? |
| A: Polar surface area (PSA) of 2-[4-(cyanomethyl)-2,3,5,6-tetramethylphenyl]acetonitrile is 47.58000. |
| Q: What is the English name of 2-[4-(cyanomethyl)-2,3,5,6-tetramethylphenyl]acetonitrile? |
| A: The English name of 2-[4-(cyanomethyl)-2,3,5,6-tetramethylphenyl]acetonitrile is 2-[4-(cyanomethyl)-2,3,5,6-tetramethylphenyl]acetonitrile. |
| Q: What is the SMILES notation of 2-[4-(cyanomethyl)-2,3,5,6-tetramethylphenyl]acetonitrile? |
| A: SMILES notation of 2-[4-(cyanomethyl)-2,3,5,6-tetramethylphenyl]acetonitrile is Cc1c(C)c(CC#N)c(C)c(C)c1CC#N. |
| Q: What is the InChIKey of 2-[4-(cyanomethyl)-2,3,5,6-tetramethylphenyl]acetonitrile? |
| A: InChIKey of 2-[4-(cyanomethyl)-2,3,5,6-tetramethylphenyl]acetonitrile is CDHFCWXYLKPCJG-UHFFFAOYSA-N. |
| Q: What is the LogP of 2-[4-(cyanomethyl)-2,3,5,6-tetramethylphenyl]acetonitrile? |
| A: LogP of 2-[4-(cyanomethyl)-2,3,5,6-tetramethylphenyl]acetonitrile is 3.05236. |
| Q: What is the molecular formula of 2-[4-(cyanomethyl)-2,3,5,6-tetramethylphenyl]acetonitrile? |
| A: Molecular formula of 2-[4-(cyanomethyl)-2,3,5,6-tetramethylphenyl]acetonitrile is C14H16N2. |
| Q: What is the molecular weight of 2-[4-(cyanomethyl)-2,3,5,6-tetramethylphenyl]acetonitrile? |
| A: Molecular weight of 2-[4-(cyanomethyl)-2,3,5,6-tetramethylphenyl]acetonitrile is 212.29000. |
| Q: What are the upstream materials of 2-[4-(cyanomethyl)-2,3,5,6-tetramethylphenyl]acetonitrile? |
| A: Related upstream materials(CAS) of 2-[4-(cyanomethyl)-2,3,5,6-tetramethylphenyl]acetonitrile: 35168-64-0;143-33-9;3022-16-0;95-93-2. |
| Q: What English synonyms does 2-[4-(cyanomethyl)-2,3,5,6-tetramethylphenyl]acetonitrile have? |
| A: English synonyms of 2-[4-(cyanomethyl)-2,3,5,6-tetramethylphenyl]acetonitrile: 1,4-Benzenediacetonitrile,2,3,5,6-tetramethyl, 4-Cyanomethyl-2,3,5,6-tetramethylbenzylcyanid, Bis-cyanmethyl-duren, 2,3,5,6-tetramethylphenylene-1,4-diacetonitrile. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Dayang Chem (Hangzhou) Co., Ltd. |