3-Chloro-4-(dichloromethyl)-5-hydroxy-2(5H)-furanone

Modify Date: 2024-01-04 14:51:52

3-Chloro-4-(dichloromethyl)-5-hydroxy-2(5H)-furanone Structure
3-Chloro-4-(dichloromethyl)-5-hydroxy-2(5H)-furanone structure
Common Name 3-Chloro-4-(dichloromethyl)-5-hydroxy-2(5H)-furanone
CAS Number 77439-76-0 Molecular Weight 217.434
Density 1.8±0.1 g/cm3 Boiling Point 388.7±42.0 °C at 760 mmHg
Molecular Formula C5H3Cl3O3 Melting Point N/A
MSDS N/A Flash Point 188.9±27.9 °C

 Names

Name 3-chloro-4-(dichloromethyl)-5-hydroxy-2(5h)-furanone
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.8±0.1 g/cm3
Boiling Point 388.7±42.0 °C at 760 mmHg
Molecular Formula C5H3Cl3O3
Molecular Weight 217.434
Flash Point 188.9±27.9 °C
Exact Mass 215.914780
PSA 46.53000
LogP 0.06
Vapour Pressure 0.0±2.0 mmHg at 25°C
Index of Refraction 1.572

 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 DATA

ACUTE 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

 Safety Information

Hazard Codes T: Toxic;
Risk Phrases R46
Safety Phrases 53-36/37/39-45
RIDADR UN 2810
RTECS LU3482000
Packaging Group II
Hazard Class 6.1(a)
HS Code 2932209090

 Synthetic Route

 Customs

HS Code 2932209090
Summary 2932209090. other lactones. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

 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
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