Introduction:Basic information about CAS 5398-11-8|1(3H)-Isobenzofuranone,3-phenyl-, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 1(3H)-Isobenzofuranone,3-phenyl- |
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| CAS Number | 5398-11-8 | Molecular Weight | 210.22800 |
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| Density | 1.234g/cm3 | Boiling Point | 368.9ºC at 760mmHg |
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| Molecular Formula | C14H10O2 | Melting Point | 120-122°C |
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| MSDS | / | Flash Point | 154.5ºC |
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Names
| Name | 3-Phenylphthalide |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.234g/cm3 |
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| Boiling Point | 368.9ºC at 760mmHg |
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| Melting Point | 120-122°C |
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| Molecular Formula | C14H10O2 |
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| Molecular Weight | 210.22800 |
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| Flash Point | 154.5ºC |
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| Exact Mass | 210.06800 |
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| PSA | 26.30000 |
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| LogP | 2.94640 |
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| Index of Refraction | 1.622 |
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| InChIKey | SQFMIHCARVMICF-UHFFFAOYSA-N |
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| SMILES | O=C1OC(c2ccccc2)c2ccccc21 |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- TI3800000
- CHEMICAL NAME :
- Phthalide, 3-phenyl-
- CAS REGISTRY NUMBER :
- 5398-11-8
- BEILSTEIN REFERENCE NO. :
- 0159678
- LAST UPDATED :
- 199712
- DATA ITEMS CITED :
- 1
- MOLECULAR FORMULA :
- C14-H10-O2
- MOLECULAR WEIGHT :
- 210.24
- WISWESSER LINE NOTATION :
- T56 BVO DHJ DR
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 100 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#05535
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Safety Information
| Safety Phrases | S22-S24/25 |
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| RTECS | TI3800000 |
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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
| 3-PHENYLPHTHALIDE |
| 3-Phenyl-1(3H)-isobenzofuranone |
| 3-PHENYL-3H-ISOBENZOFURAN-1-ONE |
| EINECS 226-426-9 |
| MFCD00023099 |
| 3-phenyl-3H-2-benzofuran-1-one |