Ethyl6-chloro-6-oxohexanoate(ThiocticAcidImpurity)
Ethyl6-chloro-6-oxohexanoate(ThiocticAcidImpurity) structure
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Common Name | Ethyl6-chloro-6-oxohexanoate(ThiocticAcidImpurity) | ||
|---|---|---|---|---|
| CAS Number | 1071-71-2 | Molecular Weight | 192.64000 | |
| Density | 1.116g/cm3 | Boiling Point | 230.9ºC at 760 mmHg | |
| Molecular Formula | C8H13ClO3 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 87.2ºC | |
Summary: Ethyl6-chloro-6-oxohexanoate(ThiocticAcidImpurity), with the Chinese name of 6-氯-6-氧代己酸乙酯, has a CAS number of 1071-71-2 and a molecular formula of C8H13ClO3. For research-use only, not for medical or clinical usage.
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | ethyl 6-chloro-6-oxohexanoate |
|---|---|
| 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 | 1.116g/cm3 |
|---|---|
| Boiling Point | 230.9ºC at 760 mmHg |
| Molecular Formula | C8H13ClO3 |
| Molecular Weight | 192.64000 |
| Flash Point | 87.2ºC |
| Exact Mass | 192.05500 |
| PSA | 43.37000 |
| LogP | 1.87530 |
| Vapour Pressure | 0.0642mmHg at 25°C |
| Index of Refraction | 1.443 |
| InChIKey | VEOZBFFLKPBVIY-UHFFFAOYSA-N |
| SMILES | CCOC(=O)CCCCC(=O)Cl |
| Storage condition | -20°C |
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| HS Code | 2918300090 |
|---|
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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~96%
Ethyl6-chloro-6... CAS#:1071-71-2 |
| Literature: Regourd, Jasmine; Ali, Adeeb Al-Sheikh; Thompson, Alison Journal of Medicinal Chemistry, 2007 , vol. 50, # 7 p. 1528 - 1536 |
|
~87%
Ethyl6-chloro-6... CAS#:1071-71-2 |
| Literature: Sakuragi; Tokumaru; Itoh; Terakawa; Kikuchi; Caldwell; Hsu Bulletin of the Chemical Society of Japan, 1990 , vol. 63, # 4 p. 1049 - 1057 |
|
~%
Ethyl6-chloro-6... CAS#:1071-71-2 |
| Literature: Eaton, Jefferson T.; Rounds, William D.; Urbanowicz, John H.; Gribble, Gordon W. Tetrahedron Letters, 1988 , vol. 29, # 50 p. 6553 - 6556 |
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~%
Ethyl6-chloro-6... CAS#:1071-71-2 |
| Literature: Blaise; Koehler Bulletin de la Societe Chimique de France, 1910 , vol. <4>7, p. 219 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 4 | |
|---|---|
| DownStream 10 | |
CAS#:4144-61-0
CAS#:3343-24-6
CAS#:4144-62-1
CAS#:56721-43-8
CAS#:42916-80-3
CAS#:56721-40-5
CAS#:4144-59-6
CAS#:334-25-8
CAS#:4248-25-3
CAS#:412022-61-8This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2918300090 |
|---|---|
| Summary | 2918300090 other carboxylic acids with aldehyde or ketone function but without other oxygen function, their anhydrides, halides, peroxides, peroxyacids and their derivatives。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:6.5%。General tariff:30.0% |
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| ethyl 5-chloroformylpentanoate |
| 5-ethoxycarbonylvaleric acid chloride |
| HEXANOIC ACID,6-CHLORO-6-OXO-,ETHYL ESTER |
| 5-chlorocarbonyl-pentanoic acid ethyl ester |
| 5-carboethoxypentanoyl chloride |
| 6-Chloro-6-oxo-hexanoic acid,ethyl ester |
| adipic acid chloride monoethyl ester |
| EINECS 213-993-2 |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the molecular formula of ethyl 6-chloro-6-oxohexanoate? |
| A: Molecular formula of ethyl 6-chloro-6-oxohexanoate is C8H13ClO3. |
| Q: What is the CAS number of ethyl 6-chloro-6-oxohexanoate? |
| A: CAS number of ethyl 6-chloro-6-oxohexanoate is 1071-71-2. |
| Q: What is the InChIKey of ethyl 6-chloro-6-oxohexanoate? |
| A: InChIKey of ethyl 6-chloro-6-oxohexanoate is VEOZBFFLKPBVIY-UHFFFAOYSA-N. |
| Q: What is the polar surface area (PSA) of ethyl 6-chloro-6-oxohexanoate? |
| A: Polar surface area (PSA) of ethyl 6-chloro-6-oxohexanoate is 43.37000. |
| Q: What are the upstream materials of ethyl 6-chloro-6-oxohexanoate? |
| A: Related upstream materials(CAS) of ethyl 6-chloro-6-oxohexanoate: 626-86-8;7719-09-7;1190-69-8;124-04-9. |
| Q: What is the LogP of ethyl 6-chloro-6-oxohexanoate? |
| A: LogP of ethyl 6-chloro-6-oxohexanoate is 1.87530. |
| Q: What is the SMILES notation of ethyl 6-chloro-6-oxohexanoate? |
| A: SMILES notation of ethyl 6-chloro-6-oxohexanoate is CCOC(=O)CCCCC(=O)Cl. |
| Q: What is the English name of ethyl 6-chloro-6-oxohexanoate? |
| A: The English name of ethyl 6-chloro-6-oxohexanoate is ethyl 6-chloro-6-oxohexanoate. |
| Q: What English synonyms does ethyl 6-chloro-6-oxohexanoate have? |
| A: English synonyms of ethyl 6-chloro-6-oxohexanoate: ethyl 5-chloroformylpentanoate, 5-ethoxycarbonylvaleric acid chloride, HEXANOIC ACID,6-CHLORO-6-OXO-,ETHYL ESTER, 5-chlorocarbonyl-pentanoic acid ethyl ester, 5-carboethoxypentanoyl chloride, 6-Chloro-6-oxo-hexanoic acid,ethyl ester, adipic acid chloride monoethyl ester, EINECS 213-993-2. |
| Q: What are the downstream products of ethyl 6-chloro-6-oxohexanoate? |
| A: Related downstream products(CAS) of ethyl 6-chloro-6-oxohexanoate: 4144-61-0;3343-24-6;4144-62-1;56721-43-8;42916-80-3;56721-40-5;4144-59-6;334-25-8;4248-25-3;412022-61-8. |
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. |