Introduction：Basic information about CAS 5798-79-8|Bromobenzyl cyanide, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Bromobenzyl cyanide |
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| CAS Number | 5798-79-8 | Molecular Weight | 196.044 |
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| Density | 1.5±0.1 g/cm3 | Boiling Point | 228.0±20.0 °C at 760 mmHg |
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| Molecular Formula | C8H6BrN | Melting Point | 29ºC |
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| MSDS | / | Flash Point | 91.7±21.8 °C |
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Names
| Name | 2-bromo-2-phenylacetonitrile |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.5±0.1 g/cm3 |
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| Boiling Point | 228.0±20.0 °C at 760 mmHg |
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| Melting Point | 29ºC |
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| Molecular Formula | C8H6BrN |
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| Molecular Weight | 196.044 |
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| Flash Point | 91.7±21.8 °C |
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| Exact Mass | 194.968353 |
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| PSA | 23.79000 |
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| LogP | 2.34 |
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| Vapour Pressure | 0.1±0.5 mmHg at 25°C |
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| Index of Refraction | 1.585 |
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| InChIKey | XUHFBOUSHUEAQZ-UHFFFAOYSA-N |
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| SMILES | N#CC(Br)c1ccccc1 |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- AL8050000
- CHEMICAL NAME :
- Acetonitrile, bromophenyl-
- CAS REGISTRY NUMBER :
- 5798-79-8
- BEILSTEIN REFERENCE NO. :
- 1862309
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 2
- MOLECULAR FORMULA :
- C8-H6-Br-N
- MOLECULAR WEIGHT :
- 196.06
- WISWESSER LINE NOTATION :
- NCYER
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 100 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- NCNSA6 National Academy of Sciences, National Research Council, Chemical-Biological Coordination Center, Review. (Washington, DC) Volume(issue)/page/year: 5,32,1953
- TYPE OF TEST :
- LC - Lethal concentration
- ROUTE OF EXPOSURE :
- Inhalation
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- >1160 mg/m3/10M
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- NDRC** National Defense Research Committee, Office of Scientific Research and Development, Progress Report. Volume(issue)/page/year: NDCrc-132,Aug,1942
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Safety Information
| RIDADR | UN 1694 |
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| Packaging Group | I |
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| Hazard Class | 6.1(a) |
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| HS Code | 2926909090 |
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Customs
| HS Code | 2926909090 |
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| Summary | HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0% |
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Synonyms
| a-Bromo-a-tolunitrile |
| Bromobenzylnitrile |
| a-Bromobenzyl Cyanide |
| B.B.C. |
| a-Bromobenzeneacetonitrile |
| Acetonitrile,bromophenyl |
| a-Bromophenylacetonitrile |
| CA (Tear gas) |
| Benzeneacetonitrile, α-bromo- (9CI) |
| Benzeneacetonitrile, α-bromo- |
| Camite |
| Bromobenzyl cyanide |
| Brombenzyl cyanide |
| benzyl cyanide |
| α-Bromobenzyl cyanide |
| α-Bromophenylacetonitrile |
| Bromo(phenyl)acetonitrile |
| bromo-phenyl-acetonitrile |
