Introduction：Basic information about CAS 21725-69-9|Benzo[d]isoxazol-3-ol, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Benzo[d]isoxazol-3-ol |
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| CAS Number | 21725-69-9 | Molecular Weight | 135.120 |
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| Density | 1.4±0.1 g/cm3 | Boiling Point | 299.9±13.0 °C at 760 mmHg |
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| Molecular Formula | C7H5NO2 | Melting Point | 140-142ºC |
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| MSDS | / | Flash Point | 135.2±19.8 °C |
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Names
| Name | 1,2-benzoxazol-3-one |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.4±0.1 g/cm3 |
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| Boiling Point | 299.9±13.0 °C at 760 mmHg |
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| Melting Point | 140-142ºC |
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| Molecular Formula | C7H5NO2 |
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| Molecular Weight | 135.120 |
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| Flash Point | 135.2±19.8 °C |
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| Exact Mass | 135.032028 |
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| PSA | 46.26000 |
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| LogP | 0.89 |
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| Vapour Pressure | 0.0±0.7 mmHg at 25°C |
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| Index of Refraction | 1.664 |
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| InChIKey | QLDQYRDCPNBPII-UHFFFAOYSA-N |
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| SMILES | O=c1[nH]oc2ccccc12 |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- DE4933500
- CHEMICAL NAME :
- 1,2-Benzisoxazol-3(2H)-one
- CAS REGISTRY NUMBER :
- 21725-69-9
- LAST UPDATED :
- 198702
- DATA ITEMS CITED :
- 2
- MOLECULAR FORMULA :
- C7-H5-N-O2
- MOLECULAR WEIGHT :
- 135.13
- WISWESSER LINE NOTATION :
- T56 BOMVJ
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 2650 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- PLRCAT Pharmacological Research Communications. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1969- Volume(issue)/page/year: 3,385,1971
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 3100 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- PLRCAT Pharmacological Research Communications. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1969- Volume(issue)/page/year: 3,385,1971
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Safety Information
| Hazard Codes | Xi: Irritant; |
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| Risk Phrases | R36/37/38 |
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| Safety Phrases | 26-36/37/39 |
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| RTECS | DE4933500 |
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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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Synonyms
| 3-Hydroxybenzisoxazole |
| 1,2-Benzisoxazol-3(2H)-one |
| 3-Hydroxy-1,2-benzisoxazole |
| 1,2-benzisoxazol-3-ol |
| 1,2-Benzisoxazol-3-ol 1,2-Benzisoxazolin-3-one 3-Hydroxy-1,2-benzisoxazole Benzo[d]isoxazol-3-ol |
| Benzo[d]isoxazol-3-ol |
| 1,2-benzoxazol-3-ol |
| 1,2-Benzoxazol-3(2H)-one |
| MFCD00125030 |
| 1,2-Benzisoxazolin-3-one |
