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| CAS No.: | 87-56-9 | |
|---|---|---|
| Name: | Mucochloric acid | |
| Molecular Structure: | ||
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| Formula: | C4H2 Cl2 O3 | |
| Molecular Weight: | 168.964 | |
| Synonyms: | 2-Butenoicacid, 2,3-dichloro-4-oxo-, (Z)-; Malealdehydic acid, dichloro- (7CI,8CI);Mucochloric acid (6CI); 2,3-Dichloromaleic aldehyde acid; Dichloromalealdehydicacid; a,b-Dichloro-b-formylacrylic acid | |
| EINECS: | 201-752-4 (CHO)CCl=CClCOOH | |
| Density: | 1.648 g/cm3 | |
| Melting Point: | 124 - 128 C | |
| Boiling Point: | 271 °C at 760 mmHg | |
| Flash Point: | 186 C | |
| Solubility: | 27 (g/l) SOLVENT | yellowish liquid |
| Hazard Symbols: | 8 (Packing Group: II) UN NO. | |
| Risk Codes: | R25;R34;R37;R42/43 | |
| Safety: | Poison by ingestion. Moderate skin and severe eye irritant. Questionable carcinogen with experimental tumorigenic data. Mutation data reported. When heated to decomposition it emits toxic fumes of Cl−. | |
| Transport Information: | 25kgs | |
| PSA: | 54.37000 | |
| LogP: | 0.95910 | |
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Chemistry
Molecular Formula: C4H2Cl2O3
Molar mass: 168.96 g/mol
EINECS: 201-752-4
Density: 1.648 g/cm3
Flash Point: 117.7 °C
Index of Refraction: 1.532
Boiling Point: 271 °C at 760 mmHg
Vapour Pressure: 0.00186 mmHg at 25°C
Melting point: 125-128 °C(lit.)
Water solubility: slightly soluble in cold water, easily deliquescence
Appearance: Light beige white crystalline powder
Solubility: Soluble in hot water, ethanol, ether and hot benzene
Structure of Mucochloric acid (87-56-9):
XLogP3-AA: 1.2
H-Bond Donor: 1
H-Bond Acceptor: 3
IUPAC Name: (E)-2,3-Dichloro-4-oxobut-2-enoic acid
Canonical SMILES: C(=O)C(=C(C(=O)O)Cl)Cl
Isomeric SMILES: C(=O)/C(=C(/C(=O)O)\Cl)/Cl
InChI: InChI=1S/C4H2Cl2O3/c5-2(1-7)3(6)4(8)9/h1H,(H,8,9)/b3-2+
InChIKey: LUMLZKVIXLWTCI-NSCUHMNNSA-N
Uses
Mucochloric acid (87-56-9) can be used for organic synthesis intermediates. It is not only used for the synthesis of novel broad-spectrum acaricide: Pyridaben, herbicide: Bjarnason, but also for medicines and sulfapyridine such as photosensitive materials synthesis.
Production
1. Furfural by oxidation and chlorination: leads chlorine in strong acidic solution.
2. Manganese Dioxide - Hydrochloric acid by oxidation-chlorination method: in the presence of hydrochloric acid, Furfural and Manganese dioxide is oxidated at low temperatures, and then increasing the temperature for chlorination.
Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| guinea pig | LD50 | oral | 100mg/kg (100mg/kg) | Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 34(12), Pg. 16, 1969. | |
| guinea pig | LDLo | skin | 1gm/kg (1000mg/kg) | SKIN AND APPENDAGES (SKIN): "DERMATITIS, OTHER: AFTER SYSTEMIC EXPOSURE" | National Technical Information Service. Vol. OTS0546543, |
| mouse | LD50 | oral | 84mg/kg (84mg/kg) | "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 46, 1982. | |
| mouse | LDLo | intraperitoneal | 10mg/kg (10mg/kg) | National Technical Information Service. Vol. OTS0546543, | |
| rabbit | LD50 | oral | 160mg/kg (160mg/kg) | Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 34(12), Pg. 16, 1969. | |
| rat | LD50 | intraperitoneal | 10mg/kg (10mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: DYSPNEA | National Technical Information Service. Vol. OTS0546543, |
| rat | LD50 | oral | 100mg/kg (100mg/kg) | Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 34(12), Pg. 16, 1969. |
Consensus Reports
Reported in EPA TSCA Inventory.
Safety Profile
Poison by ingestion. Moderate skin and severe eye irritant. Questionable carcinogen with experimental tumorigenic data. Mutation data reported. When heated to decomposition it emits toxic fumes of Cl−.
Specification
Mucochloric acid (87-56-9) also can be called Malealdehydic acid, dichloro- (8CI) ; Acrylic acid, 2,3-dichloro-3-formyl- ; 2-Butenoic acid, 2,3-dichloro-4-oxo-, (Z)- ; 2-Butenoic acid, 2,3-dichloro-4-oxo-, (2Z)- ; Malealdehydic acid, dichloro-4-oxo-, (Z)- (9CI) .It is stimulating effect on the skin.