Introduction：Basic information about CAS 16532-79-9|4-Bromobenzyl cyanide, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 4-Bromobenzyl cyanide |
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| CAS Number | 16532-79-9 | Molecular Weight | 196.044 |
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| Density | 1.5±0.1 g/cm3 | Boiling Point | 286.2±15.0 °C at 760 mmHg |
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| Molecular Formula | C8H6BrN | Melting Point | 47-49 °C(lit.) |
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| MSDS | ChineseUSA | Flash Point | 126.9±20.4 °C |
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| Symbol |
GHS06 | Signal Word | Danger |
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Names
| Name | 4-Bromophenylacetonitrile |
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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 | 286.2±15.0 °C at 760 mmHg |
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| Melting Point | 47-49 °C(lit.) |
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| Molecular Formula | C8H6BrN |
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| Molecular Weight | 196.044 |
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| Flash Point | 126.9±20.4 °C |
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| Exact Mass | 194.968353 |
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| PSA | 23.79000 |
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| LogP | 2.22 |
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| Vapour Pressure | 0.0±0.6 mmHg at 25°C |
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| Index of Refraction | 1.573 |
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| InChIKey | MFHFWRBXPQDZSA-UHFFFAOYSA-N |
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| SMILES | N#CCc1ccc(Br)cc1 |
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| Water Solubility | slightly soluble |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- AL8090000
- CHEMICAL NAME :
- Acetonitrile, (p-bromophenyl)-
- CAS REGISTRY NUMBER :
- 16532-79-9
- BEILSTEIN REFERENCE NO. :
- 1861069
- LAST UPDATED :
- 199701
- DATA ITEMS CITED :
- 2
- MOLECULAR FORMULA :
- C8-H6-Br-N
- MOLECULAR WEIGHT :
- 196.06
- WISWESSER LINE NOTATION :
- NC1R DE
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 56 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#03252
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Safety Information
| Symbol |
GHS06 |
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| Signal Word | Danger |
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| Hazard Statements | H301-H312 + H332-H315-H319-H335 |
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| Precautionary Statements | P261-P280-P301 + P310-P305 + P351 + P338 |
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| Personal Protective Equipment | dust mask type N95 (US);Eyeshields;Faceshields;Gloves |
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| Hazard Codes | Xn:Harmful; |
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| Risk Phrases | R20/21/22;R36/37/38 |
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| Safety Phrases | S26-S36/37/39-S38-S26/36/37/39 |
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| RIDADR | 3276 |
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| WGK Germany | 3 |
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| RTECS | AL8090000 |
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| Packaging Group | III |
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| Hazard Class | 6.1 |
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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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Articles4
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| Readily synthesised arylamino fumaronitrile for non-doped red organic light-emitting diodes. Chem. Commun. (Camb.) (20) , 2632-3, (2003) Bright (maximum 10034 cd m(-2), 455 cd m(-2) at 20 mA cm(-2)) and efficient (maximum 2.4% at 4 mA cm(-2)) red (lambda(max)el 634-636 nm) organic light-emitting diodes employ arylamino-substituted fuma... | |
| A mild and efficient method for the reduction of nitriles. Laval S, et al. Tetrahedron Lett. 50(50) , 7005-7007, (2009)
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| Polymeric light emitting properties and structural relationships of fluorene-based conjugated copolymers containing various hole transporting derivatives. Park JH, et al. Org. Electron. 8(2) , 272-285, (2007)
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Synonyms
| 4-Bromobenzyl cyanide |
| EINECS 240-602-2 |
| MFCD00001916 |
| 2-(4-bromophenyl)acetonitrile |
| (4-Bromophenyl)acetonitrile |
| 4-bromophenylacetonitrile |
| Benzeneacetonitrile, 4-bromo- |
| 4-Bromo phenylacetonitrile |
