Benzoyl cyanide
Benzoyl cyanide structure
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Common Name | Benzoyl cyanide | ||
|---|---|---|---|---|
| CAS Number | 613-90-1 | Molecular Weight | 131.131 | |
| Density | 1.1±0.1 g/cm3 | Boiling Point | 206.0±9.0 °C at 760 mmHg | |
| Molecular Formula | C8H5NO | Melting Point | 28-31 °C(lit.) | |
| MSDS | Chinese USA | Flash Point | 78.4±18.7 °C | |
| Symbol |
GHS06 |
Signal Word | Danger | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | benzoyl cyanide |
|---|---|
| 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 | 206.0±9.0 °C at 760 mmHg |
| Melting Point | 28-31 °C(lit.) |
| Molecular Formula | C8H5NO |
| Molecular Weight | 131.131 |
| Flash Point | 78.4±18.7 °C |
| Exact Mass | 131.037109 |
| PSA | 40.86000 |
| LogP | 1.04 |
| Vapour Pressure | 0.2±0.4 mmHg at 25°C |
| Index of Refraction | 1.546 |
| InChIKey | GJQBHOAJJGIPRH-UHFFFAOYSA-N |
| SMILES | N#CC(=O)c1ccccc1 |
| Water Solubility | slihtly soluble, decomposes |
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 |
GHS06 |
|---|---|
| Signal Word | Danger |
| Hazard Statements | H300 |
| Precautionary Statements | P264-P301 + P310 |
| Personal Protective Equipment | Eyeshields;Faceshields;Gloves;type P2 (EN 143) respirator cartridges |
| Hazard Codes | T:Toxic;N:Dangerousfortheenvironment; |
| Risk Phrases | R20;R24/25;R34;R50 |
| Safety Phrases | S36/37/39-S45-S61-S29-S26 |
| RIDADR | UN 3439 6.1/PG 2 |
| WGK Germany | 3 |
| Packaging Group | III |
| Hazard Class | 6.1(b) |
| HS Code | 29269095 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 10 | |
|---|---|
| DownStream 9 | |
CAS#:532-54-7
CAS#:7677-24-9
CAS#:98-88-4
CAS#:143-33-9
CAS#:3446-58-0
CAS#:591-50-4
CAS#:201230-82-2
CAS#:151-50-8
CAS#:1074-12-0
CAS#:6077-10-7
CAS#:111681-88-0
CAS#:134-81-6
CAS#:100007-62-3
CAS#:57999-06-1
CAS#:5591-70-8
CAS#:3393-96-2
CAS#:3580-38-9
CAS#:76-84-6
CAS#:519-73-3This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 29269095 |
|---|
This table lists relevant public references with title, journal and publication metadata for this compound.
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Biosynthesis of benzoylformic acid from benzoyl cyanide by a newly isolatedRhodococcussp. CCZU10-1 in toluene–water biphasic system
Bioresour. Technol. 115 , 88-95, (2012) Benzoylformic acid was synthesized from the hydrolysis of benzoyl cyanide by a newly isolated Rhodococcus sp. CCZU10-1. In this study, an aqueous–toluene biphasic system was developed for highly effic... |
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Synthesis , 433, (1993)
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Quantitative evaluation of the mechanism of electroreduction of benzoyl cyanides.
J. Org. Chem. 72(2) , 589-94, (2007) The mechanism of reduction of benzoyl cyanide, 6, p-methoxybenzoyl cyanide, 7, and p-chlorobenzoyl cyanide, 8, has been studied in acetonitrile (6 and 7), N,N-dimethylformamide (6), and acetonitrile c... |
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| MFCD00001837 |
| Benzoyl nitrile |
| Benzoyl cyanide |
| Phenylglyoxylonitrile |
| α-Oxobenzeneacetonitrile |
| Oxo(phenyl)acetonitrile |
| Glyoxylonitrile,phenyl |
| benzoyl cianide |
| 2-oxo-2-phenylethanenitrile |
| 2-oxo-2-phenylacetonitrile |
| EINECS 210-359-7 |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the LogP of benzoyl cyanide? |
| A: LogP of benzoyl cyanide is 1.04. |
| Q: What are the upstream materials of benzoyl cyanide? |
| A: Related upstream materials(CAS) of benzoyl cyanide: 532-54-7;7677-24-9;98-88-4;143-33-9;3446-58-0;591-50-4;201230-82-2;151-50-8;1074-12-0;6077-10-7. |
| Q: What is the boiling point of benzoyl cyanide? |
| A: Boiling point of benzoyl cyanide is 206.0±9.0 °C at 760 mmHg. |
| Q: How is the water solubility of benzoyl cyanide? |
| A: Water solubility of benzoyl cyanide: slihtly soluble, decomposes. |
| Q: What is the InChIKey of benzoyl cyanide? |
| A: InChIKey of benzoyl cyanide is GJQBHOAJJGIPRH-UHFFFAOYSA-N. |
| Q: What is the CAS number of benzoyl cyanide? |
| A: CAS number of benzoyl cyanide is 613-90-1. |
| Q: What is the SMILES notation of benzoyl cyanide? |
| A: SMILES notation of benzoyl cyanide is N#CC(=O)c1ccccc1. |
| Q: What are the downstream products of benzoyl cyanide? |
| A: Related downstream products(CAS) of benzoyl cyanide: 111681-88-0;134-81-6;100007-62-3;57999-06-1;5591-70-8;3393-96-2;3580-38-9;76-84-6;519-73-3. |
| Q: What English synonyms does benzoyl cyanide have? |
| A: English synonyms of benzoyl cyanide: MFCD00001837, Benzoyl nitrile, Benzoyl cyanide, Phenylglyoxylonitrile, α-Oxobenzeneacetonitrile, Oxo(phenyl)acetonitrile, Glyoxylonitrile,phenyl, benzoyl cianide, 2-oxo-2-phenylethanenitrile, 2-oxo-2-phenylacetonitrile, EINECS 210-359-7. |
| Q: What is the English name of benzoyl cyanide? |
| A: The English name of benzoyl cyanide is benzoyl cyanide. |
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. |
| Henan Tianfu Chemical Co., Ltd. |