Benzoic acid,4-[3-(trifluoromethyl)-3H-diazirin-3-yl]
![Benzoic acid,4-[3-(trifluoromethyl)-3H-diazirin-3-yl] Structure](https://image.chemsrc.com/caspic/184/85559-46-2.png)
Benzoic acid,4-[3-(trifluoromethyl)-3H-diazirin-3-yl] structure
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Common Name | Benzoic acid,4-[3-(trifluoromethyl)-3H-diazirin-3-yl] | ||
|---|---|---|---|---|
| CAS Number | 85559-46-2 | Molecular Weight | 230.143 | |
| Density | 1.6±0.1 g/cm3 | Boiling Point | 298.6±50.0 °C at 760 mmHg | |
| Molecular Formula | C9H5F3N2O2 | Melting Point | 110-112ºC | |
| MSDS | N/A | Flash Point | 134.4±30.1 °C | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 4-[3-(trifluoromethyl)diazirin-3-yl]benzoic acid |
|---|---|
| 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 | 1.6±0.1 g/cm3 |
|---|---|
| Boiling Point | 298.6±50.0 °C at 760 mmHg |
| Melting Point | 110-112ºC |
| Molecular Formula | C9H5F3N2O2 |
| Molecular Weight | 230.143 |
| Flash Point | 134.4±30.1 °C |
| Exact Mass | 230.030319 |
| PSA | 62.02000 |
| LogP | 3.36 |
| Vapour Pressure | 0.0±0.7 mmHg at 25°C |
| Index of Refraction | 1.573 |
| InChIKey | CZPAJVBVULSLGG-UHFFFAOYSA-N |
| SMILES | O=C(O)c1ccc(C2(C(F)(F)F)N=N2)cc1 |
| Storage condition | 2-8°C |
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.
| HS Code | 2933990090 |
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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 6 | |
|---|---|
| DownStream 3 | |
CAS#:87736-85-4![4-[3-(Trifluoromethyl)-3H-diazirin-3-yl]benzyl alcohol Structure](https://image.chemsrc.com/caspic/204/87736-88-7.png)
CAS#:87736-88-7
CAS#:87736-82-1
CAS#:873-75-6
CAS#:394-59-2
CAS#:292145-64-3![4-[3-(Trifluoromethyl)diazirin-3-yl]benzoic Acid N-Hydroxysuccinimide Ester structure](https://image.chemsrc.com/caspic/166/87736-89-8.png)
CAS#:87736-89-8![4-[3-(Trifluoromethyl)-3H-diazirin-3-yl]benzyl Bromide structure](https://image.chemsrc.com/caspic/309/92367-11-8.png)
CAS#:92367-11-8This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2933990090 |
|---|---|
| Summary | 2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 4-[3-(trifluoromethyl)-3H-diazirine-3-yl]benzoic acid |
| 4-(1-AZI-2,2,2-TRIFLUOROETHYL)BENZOIC ACID |
| Benzoic acid,4-(3-(trifluoromethyl)-3H-diazirin-3-yl) |
| TDBA |
| 4-[3-(Trifluoromethyl)-3H-diaziren-3-yl]benzoic acid |
| 4-[3-(fluoromethyl)-3H-diazirin-3-yl]benzoic acid |
| 4-(3-trifluoromethyl-3H-diazirin-3-yl)benzoic acid |
| 4-(3-Trifluoromethyldiazirino)benzoic acid |
| 4-Atfeb |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the SMILES notation of 4-[3-(trifluoromethyl)diazirin-3-yl]benzoic acid? |
| A: SMILES notation of 4-[3-(trifluoromethyl)diazirin-3-yl]benzoic acid is O=C(O)c1ccc(C2(C(F)(F)F)N=N2)cc1. |
| Q: What are the downstream products of 4-[3-(trifluoromethyl)diazirin-3-yl]benzoic acid? |
| A: Related downstream products(CAS) of 4-[3-(trifluoromethyl)diazirin-3-yl]benzoic acid: 87736-89-8;87736-88-7;92367-11-8. |
| Q: What is the InChIKey of 4-[3-(trifluoromethyl)diazirin-3-yl]benzoic acid? |
| A: InChIKey of 4-[3-(trifluoromethyl)diazirin-3-yl]benzoic acid is CZPAJVBVULSLGG-UHFFFAOYSA-N. |
| Q: What is the polar surface area (PSA) of 4-[3-(trifluoromethyl)diazirin-3-yl]benzoic acid? |
| A: Polar surface area (PSA) of 4-[3-(trifluoromethyl)diazirin-3-yl]benzoic acid is 62.02000. |
| Q: What English synonyms does 4-[3-(trifluoromethyl)diazirin-3-yl]benzoic acid have? |
| A: English synonyms of 4-[3-(trifluoromethyl)diazirin-3-yl]benzoic acid: 4-[3-(trifluoromethyl)-3H-diazirine-3-yl]benzoic acid, 4-(1-AZI-2,2,2-TRIFLUOROETHYL)BENZOIC ACID, Benzoic acid,4-(3-(trifluoromethyl)-3H-diazirin-3-yl), TDBA, 4-[3-(Trifluoromethyl)-3H-diaziren-3-yl]benzoic acid, 4-[3-(fluoromethyl)-3H-diazirin-3-yl]benzoic acid, 4-(3-trifluoromethyl-3H-diazirin-3-yl)benzoic acid, 4-(3-Trifluoromethyldiazirino)benzoic acid, 4-Atfeb. |
| Q: What is the molecular weight of 4-[3-(trifluoromethyl)diazirin-3-yl]benzoic acid? |
| A: Molecular weight of 4-[3-(trifluoromethyl)diazirin-3-yl]benzoic acid is 230.143. |
| Q: What are the storage conditions for 4-[3-(trifluoromethyl)diazirin-3-yl]benzoic acid? |
| A: Storage conditions for 4-[3-(trifluoromethyl)diazirin-3-yl]benzoic acid: 2-8°C. |
| Q: What is the melting point of 4-[3-(trifluoromethyl)diazirin-3-yl]benzoic acid? |
| A: Melting point of 4-[3-(trifluoromethyl)diazirin-3-yl]benzoic acid is 110-112ºC. |
| Q: What is the boiling point of 4-[3-(trifluoromethyl)diazirin-3-yl]benzoic acid? |
| A: Boiling point of 4-[3-(trifluoromethyl)diazirin-3-yl]benzoic acid is 298.6±50.0 °C at 760 mmHg. |
| Q: What is the English name of 4-[3-(trifluoromethyl)diazirin-3-yl]benzoic acid? |
| A: The English name of 4-[3-(trifluoromethyl)diazirin-3-yl]benzoic acid is 4-[3-(trifluoromethyl)diazirin-3-yl]benzoic acid. |
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. |