Introduction：Basic information about CAS 52112-66-0|6-Bromo-1,3-benzoxazol-2-amine, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 6-Bromo-1,3-benzoxazol-2-amine |
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| CAS Number | 52112-66-0 | Molecular Weight | 213.031 |
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| Density | 1.8±0.1 g/cm3 | Boiling Point | 340.4±34.0 °C at 760 mmHg |
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| Molecular Formula | C7H5BrN2O | Melting Point | / |
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| MSDS | / | Flash Point | 159.7±25.7 °C |
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Names
| Name | 6-bromo-1,3-benzoxazol-2-amine |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.8±0.1 g/cm3 |
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| Boiling Point | 340.4±34.0 °C at 760 mmHg |
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| Molecular Formula | C7H5BrN2O |
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| Molecular Weight | 213.031 |
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| Flash Point | 159.7±25.7 °C |
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| Exact Mass | 211.958511 |
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| PSA | 52.05000 |
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| LogP | 2.64 |
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| Vapour Pressure | 0.0±0.7 mmHg at 25°C |
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| Index of Refraction | 1.716 |
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| InChIKey | APUYIVHTTCCVMF-UHFFFAOYSA-N |
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| SMILES | Nc1nc2ccc(Br)cc2o1 |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- DM4530000
- CHEMICAL NAME :
- Benzoxazole, 2-amino-6-bromo-
- CAS REGISTRY NUMBER :
- 52112-66-0
- BEILSTEIN REFERENCE NO. :
- 0127765
- LAST UPDATED :
- 199712
- DATA ITEMS CITED :
- 4
- MOLECULAR FORMULA :
- C7-H5-Br-N2-O
- MOLECULAR WEIGHT :
- 213.05
- WISWESSER LINE NOTATION :
- T56 BN DOJ CZ GE
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 500 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- MDCHAG Medicinal Chemistry: A Series of Monographs. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1963- Volume(issue)/page/year: 4(1),338,1964
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 200 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- MDCHAG Medicinal Chemistry: A Series of Monographs. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1963- Volume(issue)/page/year: 4(1),338,1964
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 560 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- MDCHAG Medicinal Chemistry: A Series of Monographs. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1963- Volume(issue)/page/year: 4(1),336,1964
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 294 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- MDCHAG Medicinal Chemistry: A Series of Monographs. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1963- Volume(issue)/page/year: 4(1),336,1964
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Safety Information
| Hazard Codes | Xn |
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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
| 2-Benzoxazolamine, 6-bromo- |
| 6-bromobenzo[d]oxazol-2-amine |
| 2-Amino-6-bromobenzoxazole |
| 2-Benzoxazolamine,6-bromo |
| 6-bromo-benzoxazol-2-ylamine |
| 6-Bromo-1,3-benzoxazol-2-amine |
| 6-bromo-benzooxazol-2-ylamine |
| 6-Brom-benzoxazol-2-ylamin |
| BENZOXAZOLE,2-AMINO-6-BROMO |
| 6-bromo-2-Benzoxazolamine |
