1-(3-BROMOPHENYL)-2,2,2-TRIFLUOROETHANONE
1-(3-BROMOPHENYL)-2,2,2-TRIFLUOROETHANONE structure
|
Common Name | 1-(3-BROMOPHENYL)-2,2,2-TRIFLUOROETHANONE | ||
|---|---|---|---|---|
| CAS Number | 655-26-5 | Molecular Weight | 253.01600 | |
| Density | 1.648g/cm3 | Boiling Point | 235.626ºC at 760 mmHg | |
| Molecular Formula | C8H4BrF3O | Melting Point | N/A | |
| MSDS | Chinese USA | Flash Point | 96.304ºC | |
| Symbol |
GHS07 |
Signal Word | Warning | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 3′-Bromo-2,2,2-trifluoroacetophenone |
|---|---|
| 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 | 1.648g/cm3 |
|---|---|
| Boiling Point | 235.626ºC at 760 mmHg |
| Molecular Formula | C8H4BrF3O |
| Molecular Weight | 253.01600 |
| Flash Point | 96.304ºC |
| Exact Mass | 251.94000 |
| PSA | 17.07000 |
| LogP | 3.19410 |
| Index of Refraction | 1.49 |
| InChIKey | JOKNUXPHMQZTQB-UHFFFAOYSA-N |
| SMILES | O=C(c1cccc(Br)c1)C(F)(F)F |
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 | Eyeshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter |
| Hazard Codes | Xi |
| RIDADR | NONH for all modes of transport |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
|
~66%
1-(3-BROMOPHENY... CAS#:655-26-5 |
| Literature: 3-DIMENSIONAL PHARMACEUTICALS, INC. Patent: WO2003/99805 A1, 2003 ; Location in patent: Page 118 ; |
|
~60%
1-(3-BROMOPHENY... CAS#:655-26-5 |
| Literature: Kogon, Alexander A.; Bochkariov, Dmitry E.; Baskunov, Boris P.; Cheprakov, Andrew V. Liebigs Annalen der Chemie, 1992 , # 8 p. 879 - 882 |
|
~10%
1-(3-BROMOPHENY... CAS#:655-26-5 |
| Literature: Cheng, Huicheng; Pei, Yu; Leng, Faqiang; Li, Jingya; Liang, Apeng; Zou, Dapeng; Wu, Yangjie; Wu, Yusheng Tetrahedron Letters, 2013 , vol. 54, # 33 p. 4483 - 4486 |
|
~%
1-(3-BROMOPHENY... CAS#:655-26-5 |
| Literature: Chemical Communications, , vol. 48, # 77 p. 9610 - 9612 |
|
~%
1-(3-BROMOPHENY... CAS#:655-26-5 |
| Literature: Chemical Communications, , vol. 48, # 77 p. 9610 - 9612 |
|
~%
1-(3-BROMOPHENY... CAS#:655-26-5 |
| Literature: Tetrahedron Letters, , vol. 54, # 33 p. 4483 - 4486 |
|
~%
1-(3-BROMOPHENY... CAS#:655-26-5 |
| Literature: Bulletin of the Chemical Society of Japan, , vol. 63, # 4 p. 1129 - 1137 |
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 1-(3-bromophenyl)-2,2,2-trifluoroethanone |
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 3′-Bromo-2,2,2-trifluoroacetophenone? |
| A: SMILES notation of 3′-Bromo-2,2,2-trifluoroacetophenone is O=C(c1cccc(Br)c1)C(F)(F)F. |
| Q: What is the CAS number of 3′-Bromo-2,2,2-trifluoroacetophenone? |
| A: CAS number of 3′-Bromo-2,2,2-trifluoroacetophenone is 655-26-5. |
| Q: What is the LogP of 3′-Bromo-2,2,2-trifluoroacetophenone? |
| A: LogP of 3′-Bromo-2,2,2-trifluoroacetophenone is 3.19410. |
| Q: What is the molecular weight of 3′-Bromo-2,2,2-trifluoroacetophenone? |
| A: Molecular weight of 3′-Bromo-2,2,2-trifluoroacetophenone is 253.01600. |
| Q: What is the polar surface area (PSA) of 3′-Bromo-2,2,2-trifluoroacetophenone? |
| A: Polar surface area (PSA) of 3′-Bromo-2,2,2-trifluoroacetophenone is 17.07000. |
| Q: What is the molecular formula of 3′-Bromo-2,2,2-trifluoroacetophenone? |
| A: Molecular formula of 3′-Bromo-2,2,2-trifluoroacetophenone is C8H4BrF3O. |
| Q: What is the boiling point of 3′-Bromo-2,2,2-trifluoroacetophenone? |
| A: Boiling point of 3′-Bromo-2,2,2-trifluoroacetophenone is 235.626ºC at 760 mmHg. |
| Q: What is the InChIKey of 3′-Bromo-2,2,2-trifluoroacetophenone? |
| A: InChIKey of 3′-Bromo-2,2,2-trifluoroacetophenone is JOKNUXPHMQZTQB-UHFFFAOYSA-N. |
| Q: What is the English name of 3′-Bromo-2,2,2-trifluoroacetophenone? |
| A: The English name of 3′-Bromo-2,2,2-trifluoroacetophenone is 3′-Bromo-2,2,2-trifluoroacetophenone. |
| Q: What English synonyms does 3′-Bromo-2,2,2-trifluoroacetophenone have? |
| A: English synonyms of 3′-Bromo-2,2,2-trifluoroacetophenone: 1-(3-bromophenyl)-2,2,2-trifluoroethanone. |
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. |