2-(2,6-Difluorophenyl)acetonitrile
2-(2,6-Difluorophenyl)acetonitrile structure
|
Common Name | 2-(2,6-Difluorophenyl)acetonitrile | ||
|---|---|---|---|---|
| CAS Number | 654-01-3 | Molecular Weight | 153.129 | |
| Density | 1.2±0.1 g/cm3 | Boiling Point | 210.7±25.0 °C at 760 mmHg | |
| Molecular Formula | C8H5F2N | Melting Point | N/A | |
| MSDS | Chinese USA | Flash Point | 53.3±0.0 °C | |
| Symbol |
GHS02, GHS07 |
Signal Word | Warning | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 2,6-Difluorophenylacetonitrile |
|---|---|
| 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 | 1.2±0.1 g/cm3 |
|---|---|
| Boiling Point | 210.7±25.0 °C at 760 mmHg |
| Molecular Formula | C8H5F2N |
| Molecular Weight | 153.129 |
| Flash Point | 53.3±0.0 °C |
| Exact Mass | 153.039001 |
| PSA | 23.79000 |
| LogP | 1.59 |
| Vapour Pressure | 0.2±0.4 mmHg at 25°C |
| Index of Refraction | 1.487 |
| InChIKey | GVAYBGQTAADLJS-UHFFFAOYSA-N |
| SMILES | N#CCc1c(F)cccc1F |
| Storage condition | Flammables area |
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 |
GHS02, GHS07 |
|---|---|
| Signal Word | Warning |
| Hazard Statements | H226-H302 + H312 + H332-H315-H319-H335 |
| Precautionary Statements | P261-P280-P305 + P351 + P338 |
| Personal Protective Equipment | Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter |
| Hazard Codes | Xn:Harmful; |
| Risk Phrases | R10;R20/21/22;R36/37/38 |
| Safety Phrases | S16-S26-S27-S36/37/39-S16/36/37 |
| RIDADR | UN 1993 3/PG 3 |
| 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.
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2-(2,6-Difluoro... CAS#:654-01-3 |
| Literature: Bioorganic and Medicinal Chemistry Letters, , vol. 23, # 4 p. 1110 - 1113 |
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2-(2,6-Difluoro... CAS#:654-01-3 |
| Literature: Bioorganic and Medicinal Chemistry Letters, , vol. 23, # 4 p. 1110 - 1113 |
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2-(2,6-Difluoro... CAS#:654-01-3 |
| Literature: Bioorganic and Medicinal Chemistry Letters, , vol. 23, # 4 p. 1110 - 1113 |
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2-(2,6-Difluoro... CAS#:654-01-3 |
| Literature: Bulletin des Societes Chimiques Belges, , vol. 69, p. 312 - 322 |
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2-(2,6-Difluoro... CAS#:654-01-3 |
| Literature: Bulletin des Societes Chimiques Belges, , vol. 69, p. 312 - 322 |
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2-(2,6-Difluoro... CAS#:654-01-3 |
| Literature: Bulletin des Societes Chimiques Belges, , vol. 69, p. 312 - 322 |
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2-(2,6-Difluoro... CAS#:654-01-3 |
| Literature: Bulletin des Societes Chimiques Belges, , vol. 69, p. 312 - 322 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 9 | |
|---|---|
| DownStream 4 | |
CAS#:2647-31-6![Benzeneacetonitrile, a-[[4-(dimethylamino)phenyl]methylene]-2,6-difluoro structure](https://image.chemsrc.com/caspic/491/1525-46-8.png)
CAS#:1525-46-8
CAS#:359828-68-5
CAS#:17291-90-6This 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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Structure-activity relationship studies on new DABOS: effect of substitutions at pyrimidine C-5 and C-6 positions on anti-HIV-1 activity.
Antivir. Chem. Chemother. 12(1) , 37-50, (2001) Several 5-alkyl, 5-alkenyl, 5-iso-alkyl, 5-halo, 5-aminomethyl and 5-carboxy derivatives of S-DABOs (dihydro-alkyl (or cyclo-alkyl)thio-benzyloxopyrimidines), DATNOs (dihydro-alkylthionaphthylmethyl-o... |
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 2,6-Difluorobenzeneacetonitrile |
| 2,6-Difluorobenzyl cyanide |
| 2,6-Difluorophenylacetonitrile |
| (2,6-Difluorophenyl)acetonitrile |
| 2,6-Difluorobenzeneacetonitrile |
| NC1R BF FF |
| 2-(2,6-Difluorophenyl)acetonitrile |
| EINECS 211-504-7 |
| MFCD00009973 |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the CAS number of 2,6-Difluorophenylacetonitrile? |
| A: CAS number of 2,6-Difluorophenylacetonitrile is 654-01-3. |
| Q: What is the English name of 2,6-Difluorophenylacetonitrile? |
| A: The English name of 2,6-Difluorophenylacetonitrile is 2,6-Difluorophenylacetonitrile. |
| Q: What is the polar surface area (PSA) of 2,6-Difluorophenylacetonitrile? |
| A: Polar surface area (PSA) of 2,6-Difluorophenylacetonitrile is 23.79000. |
| Q: What is the LogP of 2,6-Difluorophenylacetonitrile? |
| A: LogP of 2,6-Difluorophenylacetonitrile is 1.59. |
| Q: What is the safety information for 2,6-Difluorophenylacetonitrile? |
| A: Safety information for 2,6-Difluorophenylacetonitrile: S16-S26-S27-S36/37/39-S16/36/37. |
| Q: What are the downstream products of 2,6-Difluorophenylacetonitrile? |
| A: Related downstream products(CAS) of 2,6-Difluorophenylacetonitrile: 2647-31-6;1525-46-8;359828-68-5;17291-90-6. |
| Q: What is the SMILES notation of 2,6-Difluorophenylacetonitrile? |
| A: SMILES notation of 2,6-Difluorophenylacetonitrile is N#CCc1c(F)cccc1F. |
| Q: What is the InChIKey of 2,6-Difluorophenylacetonitrile? |
| A: InChIKey of 2,6-Difluorophenylacetonitrile is GVAYBGQTAADLJS-UHFFFAOYSA-N. |
| Q: What is the molecular formula of 2,6-Difluorophenylacetonitrile? |
| A: Molecular formula of 2,6-Difluorophenylacetonitrile is C8H5F2N. |
| Q: What are the storage conditions for 2,6-Difluorophenylacetonitrile? |
| A: Storage conditions for 2,6-Difluorophenylacetonitrile: Flammables area. |
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. |