2,2-dideuterio-2-phenylacetic acid
2,2-dideuterio-2-phenylacetic acid structure
|
Common Name | 2,2-dideuterio-2-phenylacetic acid | ||
|---|---|---|---|---|
| CAS Number | 1076-07-9 | Molecular Weight | 138.16000 | |
| Density | 1.182g/cm3 | Boiling Point | 265.5ºC at 760 mmHg | |
| Molecular Formula | C8H6D2O2 | Melting Point | 76-78ºC(lit.) | |
| MSDS | Chinese USA | Flash Point | 156.2ºC | |
| Symbol |
GHS07 |
Signal Word | Warning | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 2,2-dideuterio-2-phenylacetic 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 | 1.182g/cm3 |
|---|---|
| Boiling Point | 265.5ºC at 760 mmHg |
| Melting Point | 76-78ºC(lit.) |
| Molecular Formula | C8H6D2O2 |
| Molecular Weight | 138.16000 |
| Flash Point | 156.2ºC |
| Exact Mass | 138.06500 |
| PSA | 37.30000 |
| LogP | 1.31370 |
| Vapour Pressure | 0.00456mmHg at 25°C |
| Index of Refraction | 1.552 |
| InChIKey | WLJVXDMOQOGPHL-NCYHJHSESA-N |
| SMILES | O=C(O)Cc1ccccc1 |
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 |
| Hazard Codes | Xi: Irritant; |
| Risk Phrases | R36/37/38 |
| Safety Phrases | 26-36 |
| RIDADR | UN 3335 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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~96%
2,2-dideuterio-... CAS#:1076-07-9 |
| Literature: Flakus, Henryk T.; Chelmecki, Michal Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy, 2002 , vol. 58, # 9 p. 1867 - 1880 |
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~%
2,2-dideuterio-... CAS#:1076-07-9 |
| Literature: Zamojski, Aleksander; Grzeszczyk, Barbara; Banaszek, Anna; Babinski, Jakub; Bordas, Xavier; et. al. Carbohydrate Research, 1985 , vol. 142, p. 165 - 171 |
|
~63%
2,2-dideuterio-... CAS#:1076-07-9 |
| Literature: Heesing, Albert; Muellers, Wolfgang Chemische Berichte, 1980 , vol. 113, # 1 p. 9 - 18 |
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~%
2,2-dideuterio-... CAS#:1076-07-9 |
| Literature: Kim, Sung Soo; Tuchkin, Alexey Journal of Organic Chemistry, 1999 , vol. 64, # 11 p. 3821 - 3824 |
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~%
2,2-dideuterio-... CAS#:1076-07-9 |
| Literature: Dneprovskii, A. S.; Eliseenkov, E. V.; Mil'tsov, S. A. Journal of Organic Chemistry USSR (English Translation), 1982 , vol. 18, p. 317 - 324 Zhurnal Organicheskoi Khimii, 1982 , vol. 18, # 2 p. 365 - 373 |
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~%
2,2-dideuterio-... CAS#:1076-07-9 |
| Literature: Dneprovskii, A. S.; Eliseenkov, E. V.; Mil'tsov, S. A. Journal of Organic Chemistry USSR (English Translation), 1982 , vol. 18, p. 317 - 324 Zhurnal Organicheskoi Khimii, 1982 , vol. 18, # 2 p. 365 - 373 |
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~%
2,2-dideuterio-... CAS#:1076-07-9 |
| Literature: Heesing, Albert; Muellers, Wolfgang Chemische Berichte, 1980 , vol. 113, # 1 p. 9 - 18 |
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~%
2,2-dideuterio-... CAS#:1076-07-9 |
| Literature: Gessner, Uwe; Heesing, Albert Chemische Berichte, 1985 , vol. 118, # 7 p. 2593 - 2606 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 8 | |
|---|---|
| DownStream 4 | |
CAS#:107473-33-6
CAS#:60-12-8
CAS#:50561-93-8This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| MFCD00075154 |
| Phenylacetic-2,2-d2 acid |
| Phenylacetic acid-|A,|A-d2 |
| <2,2-D2>Phenylessigsaeure |
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 2,2-dideuterio-2-phenylacetic acid? |
| A: SMILES notation of 2,2-dideuterio-2-phenylacetic acid is O=C(O)Cc1ccccc1. |
| Q: What are the upstream materials of 2,2-dideuterio-2-phenylacetic acid? |
| A: Related upstream materials(CAS) of 2,2-dideuterio-2-phenylacetic acid: 103-82-2;114-70-5;124-38-9;33712-34-4;140-29-4;21175-64-4;93-89-0;93-58-3. |
| Q: What is the polar surface area (PSA) of 2,2-dideuterio-2-phenylacetic acid? |
| A: Polar surface area (PSA) of 2,2-dideuterio-2-phenylacetic acid is 37.30000. |
| Q: What are the downstream products of 2,2-dideuterio-2-phenylacetic acid? |
| A: Related downstream products(CAS) of 2,2-dideuterio-2-phenylacetic acid: 107473-33-6;33712-34-4;60-12-8;50561-93-8. |
| Q: What is the English name of 2,2-dideuterio-2-phenylacetic acid? |
| A: The English name of 2,2-dideuterio-2-phenylacetic acid is 2,2-dideuterio-2-phenylacetic acid. |
| Q: What is the molecular formula of 2,2-dideuterio-2-phenylacetic acid? |
| A: Molecular formula of 2,2-dideuterio-2-phenylacetic acid is C8H6D2O2. |
| Q: What is the melting point of 2,2-dideuterio-2-phenylacetic acid? |
| A: Melting point of 2,2-dideuterio-2-phenylacetic acid is 76-78ºC(lit.). |
| Q: What is the LogP of 2,2-dideuterio-2-phenylacetic acid? |
| A: LogP of 2,2-dideuterio-2-phenylacetic acid is 1.31370. |
| Q: What is the safety information for 2,2-dideuterio-2-phenylacetic acid? |
| A: Safety information for 2,2-dideuterio-2-phenylacetic acid: 26-36. |
| Q: What is the boiling point of 2,2-dideuterio-2-phenylacetic acid? |
| A: Boiling point of 2,2-dideuterio-2-phenylacetic acid is 265.5ºC at 760 mmHg. |