homophthalonitrile
homophthalonitrile structure
|
Common Name | homophthalonitrile | ||
|---|---|---|---|---|
| CAS Number | 3759-28-2 | Molecular Weight | 142.157 | |
| Density | 1.1±0.1 g/cm3 | Boiling Point | 293.8±15.0 °C at 760 mmHg | |
| Molecular Formula | C9H6N2 | Melting Point | 76 °C | |
| MSDS | Chinese USA | Flash Point | 140.7±14.3 °C | |
| Symbol |
GHS07 |
Signal Word | Warning | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 2-Cyanophenylacetonitrile |
|---|---|
| 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 | 293.8±15.0 °C at 760 mmHg |
| Melting Point | 76 °C |
| Molecular Formula | C9H6N2 |
| Molecular Weight | 142.157 |
| Flash Point | 140.7±14.3 °C |
| Exact Mass | 142.053101 |
| PSA | 47.58000 |
| LogP | 0.89 |
| Vapour Pressure | 0.0±0.6 mmHg at 25°C |
| Index of Refraction | 1.553 |
| InChIKey | GKHSEDFDYXZGCG-UHFFFAOYSA-N |
| SMILES | N#CCc1ccccc1C#N |
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 | H302 + H312 + H332 |
| Precautionary Statements | P280 |
| Personal Protective Equipment | dust mask type N95 (US);Eyeshields;Gloves |
| Hazard Codes | T:Toxic; |
| Risk Phrases | R23/24/25 |
| Safety Phrases | S26-S27-S28-S36/37/39 |
| RIDADR | 3276 |
| WGK Germany | 3 |
| RTECS | XV0930000 |
| Packaging Group | III |
| Hazard Class | 6.1 |
| HS Code | 2926909090 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 9 | |
|---|---|
| DownStream 10 | |
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CAS#:4809-08-9This 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 lists relevant public references with title, journal and publication metadata for this compound.
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A novel synthesis of 2, 5-diphenylpyrazine. Luo M, et al.
Res. Chem. Intermed. 36(5) , 491-494, (2010)
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Single step synthesis of 2, 4-dicyanonaphthylamines from synthetic equivalents of a-cyanoalkynes. Reux D and Pochat F.
J. Chem. Soc. Chem. Commun. 20 , 1419-1420, (1991)
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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.
| alpha-Cyano-o-tolunitrile |
| α-Cyano-o-tolunitrile |
| Homophthalonitrile |
| 2-(Cyanomethyl)benzonitrile |
| 2-(cyanophenyl)acetonitrile |
| MFCD00001895 |
| α-Cyano-o-toluonitrile |
| EINECS 223-167-3 |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the LogP of 2-Cyanophenylacetonitrile? |
| A: LogP of 2-Cyanophenylacetonitrile is 0.89. |
| Q: What is the polar surface area (PSA) of 2-Cyanophenylacetonitrile? |
| A: Polar surface area (PSA) of 2-Cyanophenylacetonitrile is 47.58000. |
| Q: What is the boiling point of 2-Cyanophenylacetonitrile? |
| A: Boiling point of 2-Cyanophenylacetonitrile is 293.8±15.0 °C at 760 mmHg. |
| Q: What is the English name of 2-Cyanophenylacetonitrile? |
| A: The English name of 2-Cyanophenylacetonitrile is 2-Cyanophenylacetonitrile. |
| Q: What is the InChIKey of 2-Cyanophenylacetonitrile? |
| A: InChIKey of 2-Cyanophenylacetonitrile is GKHSEDFDYXZGCG-UHFFFAOYSA-N. |
| Q: What is the safety information for 2-Cyanophenylacetonitrile? |
| A: Safety information for 2-Cyanophenylacetonitrile: S26-S27-S28-S36/37/39. |
| Q: What are the downstream products of 2-Cyanophenylacetonitrile? |
| A: Related downstream products(CAS) of 2-Cyanophenylacetonitrile: 4456-77-3;2897-88-3;15787-16-3;13130-79-5;18698-99-2;161468-31-1;29539-21-7;80900-33-0;80900-34-1;4809-08-9. |
| Q: What is the molecular formula of 2-Cyanophenylacetonitrile? |
| A: Molecular formula of 2-Cyanophenylacetonitrile is C9H6N2. |
| Q: What is the CAS number of 2-Cyanophenylacetonitrile? |
| A: CAS number of 2-Cyanophenylacetonitrile is 3759-28-2. |
| Q: What is the molecular weight of 2-Cyanophenylacetonitrile? |
| A: Molecular weight of 2-Cyanophenylacetonitrile is 142.157. |
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. |