Introduction：Basic information about CAS 5425-44-5|1,3-Dithiane, 2-phenyl-, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 1,3-Dithiane, 2-phenyl- |
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| CAS Number | 5425-44-5 | Molecular Weight | 196.33200 |
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| Density | 1.157g/cm3 | Boiling Point | 326.8ºC at 760mmHg |
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| Molecular Formula | C10H12S2 | Melting Point | 72-74ºC(lit.) |
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| MSDS | ChineseUSA | Flash Point | 158.3ºC |
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Names
| Name | 2-phenyl-1,3-dithiane |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.157g/cm3 |
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| Boiling Point | 326.8ºC at 760mmHg |
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| Melting Point | 72-74ºC(lit.) |
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| Molecular Formula | C10H12S2 |
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| Molecular Weight | 196.33200 |
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| Flash Point | 158.3ºC |
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| Exact Mass | 196.03800 |
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| PSA | 50.60000 |
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| LogP | 3.55530 |
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| Index of Refraction | 1.615 |
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| InChIKey | GXKPARDRBFURON-UHFFFAOYSA-N |
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| SMILES | c1ccc(C2SCCCS2)cc1 |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- JO5277000
- CHEMICAL NAME :
- m-Dithiane, 2-phenyl-
- CAS REGISTRY NUMBER :
- 5425-44-5
- BEILSTEIN REFERENCE NO. :
- 0130879
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 1
- MOLECULAR FORMULA :
- C10-H12-S2
- MOLECULAR WEIGHT :
- 196.34
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 1500 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- EJMCA5 European Journal of Medicinal Chemistry--Chimie Therapeutique. (Editions Scientifiques Elsevier, 29 rue Buffon, F-75005, Paris, France) V.9- 1974- Volume(issue)/page/year: 19,461,1984
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Safety Information
| Personal Protective Equipment | Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter |
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| Safety Phrases | S22 |
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| RIDADR | UN 3335 |
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| HS Code | 2934999090 |
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Customs
| HS Code | 2934999090 |
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| Summary | 2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
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Articles4
More Articles
| Multicomponent linchpin couplings. Reaction of dithiane anions with terminal epoxides, epichlorohydrin, and vinyl epoxides: efficient, rapid, and stereocontrolled assembly of advanced fragments for complex molecule synthesis. J. Am. Chem. Soc. 125 , 14435, (2003) The development, application, and advantages of a one-flask multicomponent dithiane linchpin coupling protocol, over the more conventional stepwise addition of dithiane anions to electrophiles leading... | |
| Smith, A. B., III; Boldi, A. M. J. Am. Chem. Soc. 119 , 6925, (1997)
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| Synthesis of 1-deuterioaldehydes. Benzaldehyde-1-D. Seebach D, et al. J. Org. Chem. 31(12) , 4303-4, (1966)
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Synonyms
| EINECS 226-568-1 |
| 2-phenyl-1,3-dithioane |
| 2-Phenyl-m-dithiane |
| m-DITHIANE,2-PHENYL |
| 1-phenyl-1,3-dithiane |
| MFCD00006656 |
| 1,3-Dithiane,2-phenyl |
