Introduction：Basic information about CAS 73536-69-3|Bifendatatum, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Bifendatatum |
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| CAS Number | 73536-69-3 | Molecular Weight | 418.351 |
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| Density | 1.4±0.1 g/cm3 | Boiling Point | 606.9±55.0 °C at 760 mmHg |
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| Molecular Formula | C20H18O10 | Melting Point | 181 °C |
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| MSDS | / | Flash Point | 265.9±31.5 °C |
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Names
| Name | methyl 7-methoxy-4-(7-methoxy-5-methoxycarbonyl-1,3-benzodioxol-4-yl)-1,3-benzodioxole-5-carboxylate |
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| Synonym | More Synonyms |
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Bifendatatum BiologicalActivity
| Description | Bifendate (DDB) is a synthetic intermediate of Schisandrin C with anti-HBV efficacy in research of chronic hepatitis B[1]. |
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| Related Catalog | Research Areas >>InfectionSignaling Pathways >>Anti-infection >>HBV |
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| 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. |
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Chemical & Physical Properties
| Density | 1.4±0.1 g/cm3 |
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| Boiling Point | 606.9±55.0 °C at 760 mmHg |
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| Melting Point | 181 °C |
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| Molecular Formula | C20H18O10 |
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| Molecular Weight | 418.351 |
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| Flash Point | 265.9±31.5 °C |
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| Exact Mass | 418.089996 |
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| PSA | 107.98000 |
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| LogP | 2.23 |
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| Vapour Pressure | 0.0±1.7 mmHg at 25°C |
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| Index of Refraction | 1.580 |
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| InChIKey | JMZOMFYRADAWOG-UHFFFAOYSA-N |
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| SMILES | COC(=O)c1cc(OC)c2c(c1-c1c(C(=O)OC)cc(OC)c3c1OCO3)OCO2 |
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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 DATAACUTE 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
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Safety Information
| Hazard Codes | Xi |
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| HS Code | 2932992000 |
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Customs
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 |
