1,4-Phenylenediacetonitrile
1,4-Phenylenediacetonitrile structure
|
Common Name | 1,4-Phenylenediacetonitrile | ||
|---|---|---|---|---|
| CAS Number | 622-75-3 | Molecular Weight | 156.184 | |
| Density | 1.1±0.1 g/cm3 | Boiling Point | 334.0±22.0 °C at 760 mmHg | |
| Molecular Formula | C10H8N2 | Melting Point | 94-96 °C(lit.) | |
| MSDS | Chinese USA | Flash Point | 163.6±16.2 °C | |
| Symbol |
GHS07 |
Signal Word | Warning | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 1,4-Phenylenediacetonitrile |
|---|---|
| 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 | 1.1±0.1 g/cm3 |
|---|---|
| Boiling Point | 334.0±22.0 °C at 760 mmHg |
| Melting Point | 94-96 °C(lit.) |
| Molecular Formula | C10H8N2 |
| Molecular Weight | 156.184 |
| Flash Point | 163.6±16.2 °C |
| Exact Mass | 156.068741 |
| PSA | 47.58000 |
| LogP | 0.68 |
| Vapour Pressure | 0.0±0.7 mmHg at 25°C |
| Index of Refraction | 1.550 |
| InChIKey | FUQCKESKNZBNOG-UHFFFAOYSA-N |
| SMILES | N#CCc1ccc(CC#N)cc1 |
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 | H302 + H312 + H332-H315-H319-H335 |
| Precautionary Statements | P261-P280-P305 + P351 + P338 |
| Personal Protective Equipment | dust mask type N95 (US);Eyeshields;Gloves |
| Hazard Codes | Xn:Harmful; |
| Risk Phrases | R20/21/22 |
| Safety Phrases | S26-S37/39-S24/25-S22 |
| RIDADR | 3276 |
| WGK Germany | 3 |
| Packaging Group | III |
| Hazard Class | 6.1 |
| HS Code | 2926909090 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
|
~32%
1,4-Phenylenedi... CAS#:622-75-3 |
| Literature: Thompson, Barry C.; Kim, Young-Gi; McCarley, Tracy D.; Reynolds, John R. Journal of the American Chemical Society, 2006 , vol. 128, # 39 p. 12714 - 12725 |
|
~86%
1,4-Phenylenedi... CAS#:622-75-3 |
| Literature: Radau, Gregor Monatshefte fur Chemie, 2003 , vol. 134, # 8 p. 1159 - 1166 |
|
~%
1,4-Phenylenedi... CAS#:622-75-3 |
| Literature: Journal of the Chemical Society, , p. 519 |
|
~67%
1,4-Phenylenedi... CAS#:622-75-3 |
| Literature: Harrison, Charles R.; Hodge, Philip Synthesis, 1980 , # 4 p. 299 - 301 |
|
~%
1,4-Phenylenedi... CAS#:622-75-3 |
| Literature: Journal of the Chemical Society, , vol. 53, p. 41 Chemische Berichte, , vol. 21, p. 42 Chemische Berichte, , vol. 5, p. 703 |
|
~%
1,4-Phenylenedi... CAS#:622-75-3 |
| Literature: Journal of Chemical Research, Miniprint, , # 11 p. 4572 - 4592 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 7 | |
|---|---|
| DownStream 10 | |
CAS#:106-42-3
CAS#:3261-62-9
CAS#:36076-26-3
CAS#:7325-46-4
CAS#:36076-25-2
CAS#:17833-56-6
CAS#:861448-74-0
CAS#:94112-70-6![2-[4-(Cyanomethyl)phenyl]acetamide structure](https://image.chemsrc.com/caspic/025/99071-55-3.png)
CAS#:99071-55-3![2,2'-[1,4-PHENYLENEBIS(METHYLENE)]BIS-1H-BENZOIMIDAZOLE structure](https://image.chemsrc.com/caspic/184/53193-44-5.png)
CAS#:53193-44-5This 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.
|
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
|
|
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
|
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| p-(Cyanomethyl)benzyl cyanide |
| 2,2'-benzene-1,4-diyldiacetonitrile |
| 2-[4-(cyanomethyl)phenyl]acetonitrile |
| 2,2'-Benzol-1,4-diyldiacetonitril |
| MFCD00001923 |
| 1,4-Phenylenediacetonitrile |
| 1,4-Benzenediacetonitrile |
| EINECS 210-751-8 |
| p-Xylylene dicyanide |
| 2,2'-(1,4-Phenylene)diacetonitrile |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the InChIKey of 1,4-Phenylenediacetonitrile? |
| A: InChIKey of 1,4-Phenylenediacetonitrile is FUQCKESKNZBNOG-UHFFFAOYSA-N. |
| Q: What English synonyms does 1,4-Phenylenediacetonitrile have? |
| A: English synonyms of 1,4-Phenylenediacetonitrile: p-(Cyanomethyl)benzyl cyanide, 2,2'-benzene-1,4-diyldiacetonitrile, 2-[4-(cyanomethyl)phenyl]acetonitrile, 2,2'-Benzol-1,4-diyldiacetonitril, MFCD00001923, 1,4-Phenylenediacetonitrile, 1,4-Benzenediacetonitrile, EINECS 210-751-8, p-Xylylene dicyanide, 2,2'-(1,4-Phenylene)diacetonitrile. |
| Q: What is the LogP of 1,4-Phenylenediacetonitrile? |
| A: LogP of 1,4-Phenylenediacetonitrile is 0.68. |
| Q: What is the polar surface area (PSA) of 1,4-Phenylenediacetonitrile? |
| A: Polar surface area (PSA) of 1,4-Phenylenediacetonitrile is 47.58000. |
| Q: What is the CAS number of 1,4-Phenylenediacetonitrile? |
| A: CAS number of 1,4-Phenylenediacetonitrile is 622-75-3. |
| Q: What is the molecular formula of 1,4-Phenylenediacetonitrile? |
| A: Molecular formula of 1,4-Phenylenediacetonitrile is C10H8N2. |
| Q: What is the English name of 1,4-Phenylenediacetonitrile? |
| A: The English name of 1,4-Phenylenediacetonitrile is 1,4-Phenylenediacetonitrile. |
| Q: What is the molecular weight of 1,4-Phenylenediacetonitrile? |
| A: Molecular weight of 1,4-Phenylenediacetonitrile is 156.184. |
| Q: What are the downstream products of 1,4-Phenylenediacetonitrile? |
| A: Related downstream products(CAS) of 1,4-Phenylenediacetonitrile: 106-42-3;3261-62-9;36076-26-3;7325-46-4;36076-25-2;17833-56-6;861448-74-0;94112-70-6;99071-55-3;53193-44-5. |
| Q: What is the safety information for 1,4-Phenylenediacetonitrile? |
| A: Safety information for 1,4-Phenylenediacetonitrile: S26-S37/39-S24/25-S22. |
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. |