Introduction:Basic information about CAS 77439-76-0|3-Chloro-4-(dichloromethyl)-5-hydroxy-2(5H)-furanone, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 3-Chloro-4-(dichloromethyl)-5-hydroxy-2(5H)-furanone |
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| CAS Number | 77439-76-0 | Molecular Weight | 217.434 |
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| Density | 1.8±0.1 g/cm3 | Boiling Point | 388.7±42.0 °C at 760 mmHg |
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| Molecular Formula | C5H3Cl3O3 | Melting Point | / |
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| MSDS | / | Flash Point | 188.9±27.9 °C |
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Names
| Name | 3-chloro-4-(dichloromethyl)-5-hydroxy-2(5h)-furanone |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.8±0.1 g/cm3 |
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| Boiling Point | 388.7±42.0 °C at 760 mmHg |
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| Molecular Formula | C5H3Cl3O3 |
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| Molecular Weight | 217.434 |
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| Flash Point | 188.9±27.9 °C |
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| Exact Mass | 215.914780 |
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| PSA | 46.53000 |
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| LogP | 0.06 |
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| Vapour Pressure | 0.0±2.0 mmHg at 25°C |
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| Index of Refraction | 1.572 |
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| InChIKey | WNTRMRXAGJOLCU-UHFFFAOYSA-N |
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| SMILES | O=C1OC(O)C(C(Cl)Cl)=C1Cl |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- LU3482000
- CHEMICAL NAME :
- 2(5H)-Furanone, 3-chloro-4-dichloromethyl-5-hydroxy-
- CAS REGISTRY NUMBER :
- 77439-76-0
- LAST UPDATED :
- 199801
- DATA ITEMS CITED :
- 33
- MOLECULAR FORMULA :
- C5-H3-Cl3-O3
- MOLECULAR WEIGHT :
- 217.43
- WISWESSER LINE NOTATION :
- T5OVJ CG DYGG EQ
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 120 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Administration onto the skin
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 130 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 256 mg/kg/4D-I
- TOXIC EFFECTS :
- Kidney, Ureter, Bladder - other changes in urine composition Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - catalases Biochemical - Metabolism (Intermediary) - xanthine, purine or nucleotides including urate
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 4050 mg/kg/14W-I
- TOXIC EFFECTS :
- Kidney, Ureter, Bladder - changes in bladder weight Blood - changes in serum composition (e.g. TP, bilirubin, cholesterol) Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - phosphatases
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 200 mg/kg/14D-I
- TOXIC EFFECTS :
- Kidney, Ureter, Bladder - other changes in urine composition Blood - changes in serum composition (e.g. TP, bilirubin, cholesterol) Blood - changes in leukocyte (WBC) count
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 2700 mg/kg/18W-I
- TOXIC EFFECTS :
- Liver - changes in liver weight Kidney, Ureter, Bladder - other changes in urine composition Kidney, Ureter, Bladder - changes in bladder weight
- TYPE OF TEST :
- Micronucleus test
- TYPE OF TEST :
- Sister chromatid exchange
- TYPE OF TEST :
- DNA damage
MUTATION DATA - TYPE OF TEST :
- Mutation in mammalian somatic cells
- TEST SYSTEM :
- Rodent - hamster Ovary
- DOSE/DURATION :
- 2 mg/L
- REFERENCE :
- MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 310,117,1994
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Safety Information
| Hazard Codes | T: Toxic; |
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| Risk Phrases | R46 |
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| Safety Phrases | 53-36/37/39-45 |
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| RIDADR | UN 2810 |
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| RTECS | LU3482000 |
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| Packaging Group | II |
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| Hazard Class | 6.1(a) |
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| HS Code | 2932209090 |
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Customs
| HS Code | 2932209090 |
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| Summary | 2932209090. other lactones. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
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Synonyms
| Mutagen X |
| 3-Chloro-4-(dichloromethyl)-5-hydroxy-2(5H)-furanone, (MX) |
| 3-Chloro-4-(dichloromethyl)-5-hydroxyfuran-2(5H)-one |
| 3-chloro-4-dichloromethyl-5-hydroxy-2<H>-furanone |
| 2(5H)-Furanone, 3-chloro-4-(dichloromethyl)-5-hydroxy- |
| 3-Chloro-4-(dichloromethyl)-5-hydroxy-2(5H)-furanone |
| Mx |