Dimethyl chlorofumarate
Dimethyl chlorofumarate structure
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Common Name | Dimethyl chlorofumarate | ||
|---|---|---|---|---|
| CAS Number | 5331-33-9 | Molecular Weight | 178.57000 | |
| Density | 1.281g/cm3 | Boiling Point | 224ºC at 760 mmHg | |
| Molecular Formula | C6H7ClO4 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 91.5ºC | |
Summary: Dimethyl (Z)-2-Chlorobut-2-enedioate (Dimethyl chlorofumarate, CAS: 5331-33-9), molecular formula C6H7ClO4, molecular weight 178.57000. 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 | dimethyl (Z)-2-chlorobut-2-enedioate |
|---|---|
| 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 | 1.281g/cm3 |
|---|---|
| Boiling Point | 224ºC at 760 mmHg |
| Molecular Formula | C6H7ClO4 |
| Molecular Weight | 178.57000 |
| Flash Point | 91.5ºC |
| Exact Mass | 178.00300 |
| PSA | 52.60000 |
| LogP | 0.45510 |
| Index of Refraction | 1.459 |
| InChIKey | VYXGXXYXSAMWBM-ARJAWSKDSA-N |
| SMILES | COC(=O)/C=C(/C(=O)OC)Cl |
This table summarizes toxicological test data, acute & chronic toxicity and ecological hazard parameters for this chemical.
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATAACUTE TOXICITY DATA
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This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| HS Code | 2917190090 |
|---|
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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Dimethyl chloro... CAS#:5331-33-9
Learn More
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| Literature: Yavari, Issa; Alizadeh, Abdolali Monatshefte fur Chemie, 2003 , vol. 134, # 3 p. 435 - 438 |
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~0%
Dimethyl chloro... CAS#:5331-33-9
Learn More
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| Literature: Yavari, Issa; Alizadeh, Abdolali Monatshefte fur Chemie, 2003 , vol. 134, # 3 p. 435 - 438 |
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~84%
Dimethyl chloro... CAS#:5331-33-9 |
| Literature: Serguchev; Britsun; Il'cheko Russian Journal of Organic Chemistry, 1998 , vol. 34, # 2 p. 171 - 174 |
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Dimethyl chloro... CAS#:5331-33-9
Learn More
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| Literature: Boguslavskaya, L. S.; Chuvatkin, N. N.; Panteleeva, I. Yu. Journal of Organic Chemistry USSR (English Translation), 1982 , vol. 18, # 10 p. 1832 - 1842 Zhurnal Organicheskoi Khimii, 1982 , vol. 18, # 10 p. 2082 - 2094 |
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Detail
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| Literature: Hanson, Alfred W.; McCulloch, Archibald W.; McInnes, A. Gavin Canadian Journal of Chemistry, 1981 , vol. 59, p. 288 - 301 |
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~%
Dimethyl chloro... CAS#:5331-33-9 |
| Literature: Kauder Journal fuer Praktische Chemie (Leipzig), 1885 , vol. <2> 31, p. 4,6, 8 |
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~%
Dimethyl chloro... CAS#:5331-33-9 |
| Literature: Liard,J.-L. et al. Bulletin de la Societe Chimique de France, 1973 , p. 3006 - 3009 |
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~%
Dimethyl chloro... CAS#:5331-33-9 |
| Literature: Kauder Journal fuer Praktische Chemie (Leipzig), 1885 , vol. <2> 31, p. 4,6, 8 |
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~71%
Dimethyl chloro... CAS#:5331-33-9
Learn More
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| Literature: Serguchev; Britsun; Il'cheko Russian Journal of Organic Chemistry, 1998 , vol. 34, # 2 p. 171 - 174 |
![2-[(4-methylphenyl)sulfonylamino]acetyl chloride structure](https://image.chemsrc.com/caspic/187/56218-62-3.png)
![Acetyl chloride,2-[(phenylsulfonyl)amino]- (9CI) structure](https://image.chemsrc.com/caspic/086/74427-60-4.png)
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 9 | |
|---|---|
| DownStream 0 | |
This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2917190090 |
|---|---|
| Summary | 2917190090 acyclic polycarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives 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.
| chloro-fumaric acid dimethyl ester |
| Dimethyl chlorobutenedioate |
| Chlorfumarsaeuredimethylester |
| Dimethyl 2-chlorofumarate |
| CP 3854 |
| Dimethyl chlorofumarate |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the InChIKey of dimethyl (Z)-2-chlorobut-2-enedioate? |
| A: InChIKey of dimethyl (Z)-2-chlorobut-2-enedioate is VYXGXXYXSAMWBM-ARJAWSKDSA-N. |
| Q: What is the English name of dimethyl (Z)-2-chlorobut-2-enedioate? |
| A: The English name of dimethyl (Z)-2-chlorobut-2-enedioate is dimethyl (Z)-2-chlorobut-2-enedioate. |
| Q: What is the LogP of dimethyl (Z)-2-chlorobut-2-enedioate? |
| A: LogP of dimethyl (Z)-2-chlorobut-2-enedioate is 0.45510. |
| Q: What is the Chinese name of 5331-33-9? |
| A: Chinese name of 5331-33-9 is 5331-33-9. |
| Q: What is the molecular weight of dimethyl (Z)-2-chlorobut-2-enedioate? |
| A: Molecular weight of dimethyl (Z)-2-chlorobut-2-enedioate is 178.57000. |
| Q: What English synonyms does dimethyl (Z)-2-chlorobut-2-enedioate have? |
| A: English synonyms of dimethyl (Z)-2-chlorobut-2-enedioate: chloro-fumaric acid dimethyl ester, Dimethyl chlorobutenedioate, Chlorfumarsaeuredimethylester, Dimethyl 2-chlorofumarate, CP 3854, Dimethyl chlorofumarate. |
| Q: What is the SMILES notation of dimethyl (Z)-2-chlorobut-2-enedioate? |
| A: SMILES notation of dimethyl (Z)-2-chlorobut-2-enedioate is COC(=O)/C=C(/C(=O)OC)Cl. |
| Q: What is the polar surface area (PSA) of dimethyl (Z)-2-chlorobut-2-enedioate? |
| A: Polar surface area (PSA) of dimethyl (Z)-2-chlorobut-2-enedioate is 52.60000. |
| Q: What is the molecular formula of dimethyl (Z)-2-chlorobut-2-enedioate? |
| A: Molecular formula of dimethyl (Z)-2-chlorobut-2-enedioate is C6H7ClO4. |
| Q: What is the CAS number of dimethyl (Z)-2-chlorobut-2-enedioate? |
| A: CAS number of dimethyl (Z)-2-chlorobut-2-enedioate is 5331-33-9. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Dayang Chem (Hangzhou) Co., Ltd. |