HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 574607Generated: October 26, 2026
Methyl 3-chlorocarbonylpropenoate
methyl 4-chloro-4-oxobut-2-enoate · 3-Fumarate monomethyl ester Chloro · 2-Butenoic acid, 4-chloro-4-oxo-, methyl ester, (2E)-
https://huagongshe.com/en/chemical/574607
Identifiers & Physical Properties
| CAS No. | 17081-97-9 |
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| Molecular formula | C5H5ClO3 |
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| Average molar mass | 148.54 g/mol |
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| Monoisotopic mass | 147.9927217 g/mol |
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| SMILES | COC(=O)C=CC(=O)Cl |
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| InChIKey | JHDQHPJHLHKZDL-UHFFFAOYSA-N |
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| PubChem CID | 574607 |
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| EC No. | 887-191-1 |
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| DTXSID | DTXSID10341633 |
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Chemical & Physical Properties
| XLogP | 1.4 |
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| Topological polar surface area | 43.4 |
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| Hydrogen bond donors | 0 |
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| Hydrogen bond acceptors | 3 |
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| Rotatable bonds | 3 |
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| Heavy atoms | 9 |
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| Formal charge | 0 |
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| Complexity | 150 |
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| Boiling point | 55-60 °C(Press: 6 Torr) |
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| Density | 1.273±0.06 g/cm3(Predicted) |
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| GHS pictogram | GHS07,GHS05 |
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| Signal word | Danger |
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| GHS hazard statements | H335-H314-H302 |
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| GHS precautionary statements | P264-P270-P301+P312-P330-P501-P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501 |
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Safety & Regulations
| GHS classification | DangerH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P330, P363, P403+P233, P405, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
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| Hazard Classes and Categories | Acute Tox. 4 (100%)Skin Corr. 1B (100%)STOT SE 3 (100%) |
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| Signal word | Danger |
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| GHS pictogram | GHS07,GHS05 |
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| GHS hazard statements | H335-H314-H302 |
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| GHS precautionary statements | P264-P270-P301+P312-P330-P501-P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501 |
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