2-NITRO-4-(TRIFLUOROMETHYL)BENZONITRILE structure
|
Common Name | 2-NITRO-4-(TRIFLUOROMETHYL)BENZONITRILE | ||
|---|---|---|---|---|
| CAS Number | 778-94-9 | Molecular Weight | 216.11700 | |
| Density | 1.49 g/cm3 | Boiling Point | 156-158 °C18 mm Hg(lit.) | |
| Molecular Formula | C8H3F3N2O2 | Melting Point | 44-47 °C(lit.) | |
| MSDS | Chinese USA | Flash Point | >230 °F | |
| Symbol |
GHS07 |
Signal Word | Warning | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 2-nitro-4-(trifluoromethyl)benzonitrile |
|---|---|
| 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 | 1.49 g/cm3 |
|---|---|
| Boiling Point | 156-158 °C18 mm Hg(lit.) |
| Melting Point | 44-47 °C(lit.) |
| Molecular Formula | C8H3F3N2O2 |
| Molecular Weight | 216.11700 |
| Flash Point | >230 °F |
| Exact Mass | 216.01500 |
| PSA | 69.61000 |
| LogP | 3.00848 |
| InChIKey | BQCWLXXZTCLGSZ-UHFFFAOYSA-N |
| SMILES | N#Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] |
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 | H315-H319-H335 |
| Precautionary Statements | P261-P305 + P351 + P338 |
| Personal Protective Equipment | dust mask type N95 (US);Eyeshields;Gloves |
| Hazard Codes | Xn:Harmful; |
| Risk Phrases | R20/21/22;R36/37/38 |
| Safety Phrases | S26-S36 |
| RIDADR | 3276 |
| WGK Germany | 3 |
| Packaging Group | III |
| Hazard Class | 6.1 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 10 | |
|---|---|
| DownStream 10 | |
This table lists relevant public references with title, journal and publication metadata for this compound.
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Studies on the rearrangement of ortho-nitrobenzylidenemalonates and their Analogues to 2-aminobenzoate derivatives. Lewandowska E, et al.
Can. J. Chem. 80(2) , 192-99, (2002)
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 2-Nitro-4-trifluoromethylbenzotrile |
| 4-Cyano-3-nitrobenzotrifluoride |
| 2-Nitro-4-trifluormethyl-benzonitril |
| EINECS 212-298-1 |
| MFCD00014684 |
| 4-cyano-3-nitro-1-trifluoromethylbenzene |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the English name of 2-nitro-4-(trifluoromethyl)benzonitrile? |
| A: The English name of 2-nitro-4-(trifluoromethyl)benzonitrile is 2-nitro-4-(trifluoromethyl)benzonitrile. |
| Q: What is the boiling point of 2-nitro-4-(trifluoromethyl)benzonitrile? |
| A: Boiling point of 2-nitro-4-(trifluoromethyl)benzonitrile is 156-158 °C18 mm Hg(lit.). |
| Q: What is the InChIKey of 2-nitro-4-(trifluoromethyl)benzonitrile? |
| A: InChIKey of 2-nitro-4-(trifluoromethyl)benzonitrile is BQCWLXXZTCLGSZ-UHFFFAOYSA-N. |
| Q: What are the upstream materials of 2-nitro-4-(trifluoromethyl)benzonitrile? |
| A: Related upstream materials(CAS) of 2-nitro-4-(trifluoromethyl)benzonitrile: 544-92-3;121-17-5;151-50-8;349-03-1;367-86-2;143-33-9;98-46-4;13435-20-6;336866-07-0;109466-87-7. |
| Q: What is the melting point of 2-nitro-4-(trifluoromethyl)benzonitrile? |
| A: Melting point of 2-nitro-4-(trifluoromethyl)benzonitrile is 44-47 °C(lit.). |
| Q: What are the downstream products of 2-nitro-4-(trifluoromethyl)benzonitrile? |
| A: Related downstream products(CAS) of 2-nitro-4-(trifluoromethyl)benzonitrile: 320-94-5;22227-55-0;610-29-7;713-41-7;109466-87-7;402-13-1;132927-08-3;16499-58-4;81108-81-8;396-02-1. |
| Q: What is the polar surface area (PSA) of 2-nitro-4-(trifluoromethyl)benzonitrile? |
| A: Polar surface area (PSA) of 2-nitro-4-(trifluoromethyl)benzonitrile is 69.61000. |
| Q: What is the safety information for 2-nitro-4-(trifluoromethyl)benzonitrile? |
| A: Safety information for 2-nitro-4-(trifluoromethyl)benzonitrile: S26-S36. |
| Q: What English synonyms does 2-nitro-4-(trifluoromethyl)benzonitrile have? |
| A: English synonyms of 2-nitro-4-(trifluoromethyl)benzonitrile: 2-Nitro-4-trifluoromethylbenzotrile, 4-Cyano-3-nitrobenzotrifluoride, 2-Nitro-4-trifluormethyl-benzonitril, EINECS 212-298-1, MFCD00014684, 4-cyano-3-nitro-1-trifluoromethylbenzene. |
| Q: What is the LogP of 2-nitro-4-(trifluoromethyl)benzonitrile? |
| A: LogP of 2-nitro-4-(trifluoromethyl)benzonitrile is 3.00848. |
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. |
| Zhongshan Xingrui Chemical Co. , Ltd. |