Introduction：Basic information about CAS 81-98-1|3,9-Dibromobenzanthrone, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 3,9-Dibromobenzanthrone |
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| CAS Number | 81-98-1 | Molecular Weight | 388.05300 |
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| Density | 1.836g/cm3 | Boiling Point | 535.5ºC at 760 mmHg |
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| Molecular Formula | C17H8Br2O | Melting Point | 255-256ºC |
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| MSDS | / | Flash Point | 178.2ºC |
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Names
| Name | 3,9-dibromobenzo[b]phenalen-7-one |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.836g/cm3 |
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| Boiling Point | 535.5ºC at 760 mmHg |
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| Melting Point | 255-256ºC |
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| Molecular Formula | C17H8Br2O |
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| Molecular Weight | 388.05300 |
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| Flash Point | 178.2ºC |
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| Exact Mass | 385.89400 |
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| PSA | 17.07000 |
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| LogP | 5.57620 |
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| Index of Refraction | 1.762 |
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| InChIKey | XBZKJGBIPSQKAU-UHFFFAOYSA-N |
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| SMILES | O=C1c2cc(Br)ccc2-c2ccc(Br)c3cccc1c23 |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- CX5081000
- CHEMICAL NAME :
- 7H-Benz(de)anthracen-7-one, 3,9-dibromo-
- CAS REGISTRY NUMBER :
- 81-98-1
- BEILSTEIN REFERENCE NO. :
- 2055712
- LAST UPDATED :
- 199710
- DATA ITEMS CITED :
- 7
- MOLECULAR FORMULA :
- C17-H8-Br2-O
- MOLECULAR WEIGHT :
- 388.07
- WISWESSER LINE NOTATION :
- L C6666 1A Q IVJ FE OE
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- Standard Draize test
- ROUTE OF EXPOSURE :
- Administration into the eye
- SPECIES OBSERVED :
- Rodent - rabbit
- REFERENCE :
- 85JCAE "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986 Volume(issue)/page/year: -,567,1986 ** ACUTE TOXICITY DATA **
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 4900 mg/kg
- TOXIC EFFECTS :
- Blood - normocytic anemia Blood - methemoglobinemia-carboxyhemoglobin
- REFERENCE :
- RPTOAN Russian Pharmacology and Toxicology (English Translation). Translation of FATOAO. (Euromed Pub., 33, Woodlands Rd., Surbiton, Surrey, UK) V.30- 1967- Volume(issue)/page/year: 40,137,1977
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 1410 mg/kg
- TOXIC EFFECTS :
- Blood - normocytic anemia Blood - methemoglobinemia-carboxyhemoglobin
- REFERENCE :
- RPTOAN Russian Pharmacology and Toxicology (English Translation). Translation of FATOAO. (Euromed Pub., 33, Woodlands Rd., Surbiton, Surrey, UK) V.30- 1967- Volume(issue)/page/year: 40,137,1977 ** OTHER MULTIPLE DOSE TOXICITY DATA **
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 49 gm/kg/30D-I
- TOXIC EFFECTS :
- Liver - changes in liver weight Blood - changes in erythrocyte (RBC) count Nutritional and Gross Metabolic - weight loss or decreased weight gain
- REFERENCE :
- RPTOAN Russian Pharmacology and Toxicology (English Translation). Translation of FATOAO. (Euromed Pub., 33, Woodlands Rd., Surbiton, Surrey, UK) V.30- 1967- Volume(issue)/page/year: 40,137,1977 *** OCCUPATIONAL EXPOSURE LIMITS *** OEL-RUSSIA:STEL 0.2 mg/m3 JAN 1993
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Safety Information
| Safety Phrases | S22-S24/25 |
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| HS Code | 2914700090 |
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Customs
| HS Code | 2914700090 |
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| Summary | HS: 2914700090 halogenated, sulphonated, nitrated or nitrosated derivatives of ketones and quinones, whether or not with other oxygen function Tax rebate rate:9.0% Supervision conditions:none VAT:17.0% MFN tariff:5.5% General tariff:30.0% |
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Synonyms
| 3,9-dibromo-7H-benz(de)anthracen-7-one |
| 2,7-Dibromomesobenzanthrone |
| Benzanthrone,3,9-dibromo |
| 3,9-dibromo-benzanthracen-7-one |
| 6-Bz-1-Dibrombenzanthron [Czech] |
| 2,7-Dibrommesobenzanthron |
| 3,9-Dibromobenzanthrone |
| EINECS 201-391-2 |
| 6-Bz-1-dibrombenzanthron |
| 3.9-Dibrom-benzanthron |
| MFCD00021092 |
| 3,9-dibromo-benz[de]anthracen-7-one |
| 3,9-Dibrombenzanthrone |
| 3,9-Dibrom-benz[de]anthracen-7-on |
