Introduction：Basic information about CAS 13345-21-6|3-Hydroxybenzo(a)pyrene, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 3-Hydroxybenzo(a)pyrene |
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| CAS Number | 13345-21-6 | Molecular Weight | 268.309 |
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| Density | 1.4±0.1 g/cm3 | Boiling Point | 527.2±19.0 °C at 760 mmHg |
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| Molecular Formula | C20H12O | Melting Point | / |
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| MSDS | / | Flash Point | 252.9±13.4 °C |
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Names
| Name | 3-Hydroxy Benzopyrene |
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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 | 527.2±19.0 °C at 760 mmHg |
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| Molecular Formula | C20H12O |
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| Molecular Weight | 268.309 |
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| Flash Point | 252.9±13.4 °C |
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| Exact Mass | 268.088806 |
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| PSA | 20.23000 |
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| LogP | 5.66 |
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| Vapour Pressure | 0.0±1.4 mmHg at 25°C |
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| Index of Refraction | 1.924 |
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| InChIKey | SPUUWWRWIAEPDB-UHFFFAOYSA-N |
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| SMILES | Oc1ccc2ccc3c4ccccc4cc4ccc1c2c43 |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- DJ8225000
- CHEMICAL NAME :
- Benzo(a)pyren-3-ol
- CAS REGISTRY NUMBER :
- 13345-21-6
- BEILSTEIN REFERENCE NO. :
- 2333868
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 19
- MOLECULAR FORMULA :
- C20-H12-O
- MOLECULAR WEIGHT :
- 268.32
- WISWESSER LINE NOTATION :
- L D6 B6666 2AB TJ OQ
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Administration onto the skin
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 117 ug/kg
- TOXIC EFFECTS :
- Tumorigenic - neoplastic by RTECS criteria Skin and Appendages - tumors
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 160 mg/kg/21W-I
- TOXIC EFFECTS :
- Tumorigenic - equivocal tumorigenic agent by RTECS criteria Blood - leukemia Blood - lymphoma, including Hodgkin's disease
- TYPE OF TEST :
- TD - Toxic dose (other than lowest)
- ROUTE OF EXPOSURE :
- Administration onto the skin
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 4300 ug/kg
- TOXIC EFFECTS :
- Tumorigenic - equivocal tumorigenic agent by RTECS criteria Skin and Appendages - tumors
- TYPE OF TEST :
- TD - Toxic dose (other than lowest)
- ROUTE OF EXPOSURE :
- Administration onto the skin
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 2760 mg/kg/69W-I
- TOXIC EFFECTS :
- Tumorigenic - equivocal tumorigenic agent by RTECS criteria Blood - leukemia Tumorigenic - tumors at site of application
- TYPE OF TEST :
- TD - Toxic dose (other than lowest)
- ROUTE OF EXPOSURE :
- Administration onto the skin
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 4280 ug/kg
- TOXIC EFFECTS :
- Tumorigenic - neoplastic by RTECS criteria Skin and Appendages - tumors
MUTATION DATA - TYPE OF TEST :
- Mutation in mammalian somatic cells
- TEST SYSTEM :
- Rodent - hamster Lung
- DOSE/DURATION :
- 12 umol/L
- REFERENCE :
- PNASA6 Proceedings of the National Academy of Sciences of the United States of America. (National Academy of Sciences, Printing & Pub. Office, 2101 Constitution Ave., Washington, DC 20418) V.1- 1915- Volume(issue)/page/year: 73,607,1976 *** REVIEWS *** TOXICOLOGY REVIEW ABSYB2 Alfred Benzon Symposium. (Nankodo Co. Ltd., POB 5272, Tokyo International 100-31, Japan) V.1- 1968- Volume(issue)/page/year: 10,261,1977
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Safety Information
Customs
| HS Code | 2906299090 |
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| Summary | 2906299090 other aromatic alcohols。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:5.5%。General tariff:30.0% |
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Synonyms
| Benzo[pqr]tetraphen-3-ol |
| Benzo[a]pyren-3-ol |
