(1-chloro-3-cyano-propan-2-yl) acetate
(1-chloro-3-cyano-propan-2-yl) acetate structure
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Common Name | (1-chloro-3-cyano-propan-2-yl) acetate | ||
|---|---|---|---|---|
| CAS Number | 29331-43-9 | Molecular Weight | 161.58600 | |
| Density | 1.186g/cm3 | Boiling Point | 293.6ºC at 760mmHg | |
| Molecular Formula | C6H8ClNO2 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 131.4ºC | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | (1-chloro-3-cyanopropan-2-yl) acetate |
|---|---|
| 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 | 1.186g/cm3 |
|---|---|
| Boiling Point | 293.6ºC at 760mmHg |
| Molecular Formula | C6H8ClNO2 |
| Molecular Weight | 161.58600 |
| Flash Point | 131.4ºC |
| Exact Mass | 161.02400 |
| PSA | 50.09000 |
| LogP | 1.07058 |
| Vapour Pressure | 0.00171mmHg at 25°C |
| Index of Refraction | 1.446 |
| InChIKey | RFKQSNIAVBKNHZ-UHFFFAOYSA-N |
| SMILES | CC(=O)OC(CCl)CC#N |
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| HS Code | 2926909090 |
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This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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(1-chloro-3-cya... CAS#:29331-43-9 |
| Literature: Idogaki, Hideaki; Kasai, Naoya; Takeuchi, Motoko; Hatada, Miki; Suzuki, Toshio Tetrahedron Asymmetry, 2001 , vol. 12, # 3 p. 369 - 373 |
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(1-chloro-3-cya... CAS#:29331-43-9 |
| Literature: Vessiere Bulletin de la Societe Chimique de France, 1959 , p. 1268,1272 Full Text Show Details Farbenfabr.Bayer Patent: DE836797 , 1950 ; DRP/DRBP Org.Chem. |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 3 | |
|---|---|
| DownStream 1 | |
CAS#:7659-46-3This 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 collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 4-chloro-3-acetoxybutyronitrile |
| 3-Acetoxy-4-chloro-butyronitrile |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the InChIKey of (1-chloro-3-cyanopropan-2-yl) acetate? |
| A: InChIKey of (1-chloro-3-cyanopropan-2-yl) acetate is RFKQSNIAVBKNHZ-UHFFFAOYSA-N. |
| Q: What is the CAS number of (1-chloro-3-cyanopropan-2-yl) acetate? |
| A: CAS number of (1-chloro-3-cyanopropan-2-yl) acetate is 29331-43-9. |
| Q: What are the downstream products of (1-chloro-3-cyanopropan-2-yl) acetate? |
| A: Related downstream products(CAS) of (1-chloro-3-cyanopropan-2-yl) acetate: 7659-46-3. |
| Q: What is the molecular weight of (1-chloro-3-cyanopropan-2-yl) acetate? |
| A: Molecular weight of (1-chloro-3-cyanopropan-2-yl) acetate is 161.58600. |
| Q: What is the LogP of (1-chloro-3-cyanopropan-2-yl) acetate? |
| A: LogP of (1-chloro-3-cyanopropan-2-yl) acetate is 1.07058. |
| Q: What are the upstream materials of (1-chloro-3-cyanopropan-2-yl) acetate? |
| A: Related upstream materials(CAS) of (1-chloro-3-cyanopropan-2-yl) acetate: 105-33-9;75-36-5;108-24-7. |
| Q: What is the polar surface area (PSA) of (1-chloro-3-cyanopropan-2-yl) acetate? |
| A: Polar surface area (PSA) of (1-chloro-3-cyanopropan-2-yl) acetate is 50.09000. |
| Q: What is the boiling point of (1-chloro-3-cyanopropan-2-yl) acetate? |
| A: Boiling point of (1-chloro-3-cyanopropan-2-yl) acetate is 293.6ºC at 760mmHg. |
| Q: What English synonyms does (1-chloro-3-cyanopropan-2-yl) acetate have? |
| A: English synonyms of (1-chloro-3-cyanopropan-2-yl) acetate: 4-chloro-3-acetoxybutyronitrile, 3-Acetoxy-4-chloro-butyronitrile. |
| Q: What is the SMILES notation of (1-chloro-3-cyanopropan-2-yl) acetate? |
| A: SMILES notation of (1-chloro-3-cyanopropan-2-yl) acetate is CC(=O)OC(CCl)CC#N. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Dayang Chem (Hangzhou) Co., Ltd. |