2-Nitrophenylacetonitrile
2-Nitrophenylacetonitrile structure
|
Common Name | 2-Nitrophenylacetonitrile | ||
|---|---|---|---|---|
| CAS Number | 610-66-2 | Molecular Weight | 162.14500 | |
| Density | 1.272 g/cm3 | Boiling Point | 178°C | |
| Molecular Formula | C8H6N2O2 | Melting Point | 82-85 °C(lit.) | |
| MSDS | Chinese USA | Flash Point | 138ºC | |
| Symbol |
GHS07 |
Signal Word | Warning | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 2-Nitrophenylacetonitrile |
|---|---|
| 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 | 1.272 g/cm3 |
|---|---|
| Boiling Point | 178°C |
| Melting Point | 82-85 °C(lit.) |
| Molecular Formula | C8H6N2O2 |
| Molecular Weight | 162.14500 |
| Flash Point | 138ºC |
| Exact Mass | 162.04300 |
| PSA | 69.61000 |
| LogP | 2.18408 |
| Index of Refraction | 1.577 |
| InChIKey | YPRFCQAWSNWRLM-UHFFFAOYSA-N |
| SMILES | N#CCc1ccccc1[N+](=O)[O-] |
| Stability | Stable. Incompatible with strong oxidizing agents. |
| Water Solubility | <0.01 g/100 mL at 20 ºC |
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 DATAMUTATION DATA
|
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-S36-S24/25 |
| RIDADR | 3439 |
| WGK Germany | 3 |
| RTECS | AM1248000 |
| Packaging Group | III |
| Hazard Class | 6.1 |
| HS Code | 2926909090 |
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 lists relevant public references with title, journal and publication metadata for this compound.
|
Enantioselective total synthesis of (-)-strychnine using the catalytic asymmetric Michael reaction and tandem cyclization.
J. Am. Chem. Soc. 124(49) , 14546-7, (2002) The enantioselective total synthesis of (-)-strychnine was accomplished through the use of the highly practical catalytic asymmetric Michael reaction (0.1 mol % of (R)-ALB, more than kilogram scale, w... |
|
|
Rapid access to α-carbolines via a one-pot tandem reaction of α,β-unsaturated ketones with 2-nitrophenylacetonitrile and the anti-proliferative activities of the products.
Org. Biomol. Chem. 12(2) , 355-61, (2014) An effective and convenient method has been developed for the preparation of 2 or 2,4-substituted α-carbolines via a one-pot tandem reaction of α,β-unsaturated ketones with 2-nitrophenylacetonitrile i... |
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.
| MFCD00007183 |
| 2-(2-nitrophenyl)acetonitrile |
| EINECS 210-231-0 |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the molecular formula of 2-Nitrophenylacetonitrile? |
| A: Molecular formula of 2-Nitrophenylacetonitrile is C8H6N2O2. |
| Q: How is the water solubility of 2-Nitrophenylacetonitrile? |
| A: Water solubility of 2-Nitrophenylacetonitrile: <0.01 g/100 mL at 20 ºC. |
| Q: What is the CAS number of 2-Nitrophenylacetonitrile? |
| A: CAS number of 2-Nitrophenylacetonitrile is 610-66-2. |
| Q: What is the polar surface area (PSA) of 2-Nitrophenylacetonitrile? |
| A: Polar surface area (PSA) of 2-Nitrophenylacetonitrile is 69.61000. |
| Q: What English synonyms does 2-Nitrophenylacetonitrile have? |
| A: English synonyms of 2-Nitrophenylacetonitrile: MFCD00007183, 2-(2-nitrophenyl)acetonitrile, EINECS 210-231-0. |
| Q: What is the InChIKey of 2-Nitrophenylacetonitrile? |
| A: InChIKey of 2-Nitrophenylacetonitrile is YPRFCQAWSNWRLM-UHFFFAOYSA-N. |
| Q: What is the SMILES notation of 2-Nitrophenylacetonitrile? |
| A: SMILES notation of 2-Nitrophenylacetonitrile is N#CCc1ccccc1[N+](=O)[O-]. |
| Q: What is the molecular weight of 2-Nitrophenylacetonitrile? |
| A: Molecular weight of 2-Nitrophenylacetonitrile is 162.14500. |
| Q: What is the melting point of 2-Nitrophenylacetonitrile? |
| A: Melting point of 2-Nitrophenylacetonitrile is 82-85 °C(lit.). |
| Q: What is the English name of 2-Nitrophenylacetonitrile? |
| A: The English name of 2-Nitrophenylacetonitrile is 2-Nitrophenylacetonitrile. |
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. |