Bifendatatum

Modify Date: 2024-01-02 23:47:32

Bifendatatum Structure
Bifendatatum structure
Common Name Bifendatatum
CAS Number 73536-69-3 Molecular Weight 418.351
Density 1.4±0.1 g/cm3 Boiling Point 606.9±55.0 °C at 760 mmHg
Molecular Formula C20H18O10 Melting Point 181 °C
MSDS N/A Flash Point 265.9±31.5 °C

 Use of Bifendatatum


Bifendate (DDB) is a synthetic intermediate of Schisandrin C with anti-HBV efficacy in research of chronic hepatitis B[1].

 Names

Name methyl 7-methoxy-4-(7-methoxy-5-methoxycarbonyl-1,3-benzodioxol-4-yl)-1,3-benzodioxole-5-carboxylate
Synonym More Synonyms

 Bifendatatum Biological Activity

Description Bifendate (DDB) is a synthetic intermediate of Schisandrin C with anti-HBV efficacy in research of chronic hepatitis B[1].
Related Catalog
References

[1]. Cui S, et al. [Anti-HBV efficacy of bifendate in treatment of chronic hepatitis B, a primary study]. Zhonghua Yi Xue Za Zhi. 2002 Apr 25;82(8):538-40.

 Chemical & Physical Properties

Density 1.4±0.1 g/cm3
Boiling Point 606.9±55.0 °C at 760 mmHg
Melting Point 181 °C
Molecular Formula C20H18O10
Molecular Weight 418.351
Flash Point 265.9±31.5 °C
Exact Mass 418.089996
PSA 107.98000
LogP 2.23
Vapour Pressure 0.0±1.7 mmHg at 25°C
Index of Refraction 1.580

 MSDS

Material Safety Data Sheet

Section1. Identification of the substance
Product Name: Bifendatatum
Synonyms:7,7’-Dimethoxy-(4,4’-bi-1,3-benzodioxole)-5,5’-dicarboxylic acid dimethyl ester

Section2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.

Section3. Composition/information on ingredients.
Ingredient name:Bifendatatum
CAS number:73536-69-3

Section4. First aid measures
Skin contact:Immediately wash skin with copious amounts of water for at least 15 minutes while removing
contaminated clothing and shoes. If irritation persists, seek medical attention.
Eye contact:Immediately wash skin with copious amounts of water for at least 15 minutes. Assure adequate
flushing of the eyes by separating the eyelids with fingers. If irritation persists, seek medical
attention.
Inhalation:Remove to fresh air. In severe cases or if symptoms persist, seek medical attention.
Ingestion:Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention.

Section5. Fire fighting measures
In the event of a fire involving this material, alone or in combination with other materials, use dry
powder or carbon dioxide extinguishers. Protective clothing and self-contained breathing apparatus
should be worn.

Section6. Accidental release measures
Personal precautions: Wear suitable personal protective equipment which performs satisfactorily and meets local/state/national
standards.
Respiratory precaution:Wear approved mask/respirator
Hand precaution:Wear suitable gloves/gauntlets
Skin protection:Wear suitable protective clothing
Eye protection:Wear suitable eye protection
Methods for cleaning up: Mix with sand or similar inert absorbent material, sweep up and keep in a tightly closed container
for disposal. See section 12.
Environmental precautions: Do not allow material to enter drains or water courses.

Section7. Handling and storage
Handling:This product should be handled only by, or under the close supervision of, those properly qualified
in the handling and use of potentially hazardous chemicals, who should take into account the fire,
health and chemical hazard data given on this sheet.
Store in closed vessels, refrigerated.
Storage:

Section8. Exposure Controls / Personal protection
Engineering Controls: Use only in a chemical fume hood.
Personal protective equipment: Wear laboratory clothing, chemical-resistant gloves and safety goggles.
General hydiene measures: Wash thoroughly after handling. Wash contaminated clothing before reuse.

Section9. Physical and chemical properties
Appearance:Not specified
Boiling point:No data
No data
Melting point:
Flash point:No data
Density:No data
Molecular formula:C20H18O10
Molecular weight:418.4

Section10. Stability and reactivity
Conditions to avoid: Heat, flames and sparks.
Materials to avoid: Oxidizing agents.
Possible hazardous combustion products: Carbon monoxide.

Section11. Toxicological information
No data.

Section12. Ecological information
No data.

Section13. Disposal consideration
Arrange disposal as special waste, by licensed disposal company, in consultation with local waste
disposal authority, in accordance with national and regional regulations.

Section14. Transportation information
Non-harzardous for air and ground transportation.

Section15. Regulatory information
No chemicals in this material are subject to the reporting requirements of SARA Title III, Section
302, or have known CAS numbers that exceed the threshold reporting levels established by SARA
Title III, Section 313.


SECTION 16 - ADDITIONAL INFORMATION
N/A

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DT4315000
CHEMICAL NAME :
(4,4'-Bi-1,3-benzodioxole)-5,5'-dicarboxylic acid, 7,7'-dimethoxy-, dimethyl ester
CAS REGISTRY NUMBER :
73536-69-3
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C20-H18-O10
MOLECULAR WEIGHT :
418.38

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD - Lethal dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>1 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CPBTAL Chemical and Pharmaceutical Bulletin. (Japan Pub. Trading Co., USA, 1255 Howard St., San Francisco, CA 94103) V.6- 1958- Volume(issue)/page/year: 42,62,1994

 Safety Information

Hazard Codes Xi
HS Code 2932992000

 Customs

HS Code 2932992000

 Synonyms

dimethyl-4,4'-dimethoxy-5,6,5',6'-dimethylene dicarboxybiphenyl-2,2'-dicarboxylate
Dimethyl 7,7'-dimethoxy-4,4'-bi-1,3-benzodioxole-5,5'-dicarboxylate
Bifendate
[4,4'-Bi-1,3-benzodioxole]-5,5'-dicarboxylic acid, 7,7'-dimethoxy-, dimethyl ester
Bifendatatum
MFCD01751431
dimethyl 4,4'-dimethoxy-5,6,5',6'-dimethylenedioxybiphenylbiphenyl-2,2'-dicarboxylate
dimethyl 4,4'-dimethoxy-5,6,5',6'-dimethylenedioxybiphenyl-2,2'-dicarboxylate
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