Bromobenzyl Cyanide
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Basic Info
| Common Name | Bromobenzyl Cyanide(F04328) |
| 2D Structure | |
| Description | Bromobenzyl cyanide is a colorless organobromide compound. It is slightly soluble in water but readily soluble in organic solvents. Bromobenzyl cyanide is resistant to the action of water and oxidizers; it decomposes upon heating above 120° C and also when exposed to the action of a number of metals, which are thereby intensely corroded. Bromobenzyl cyanide is obtained by the action of sodium cyanide or potassium cyanide on benzyl chloride with subsequent bromination of the benzyl cyanide that has been formed. Bromobenzyl cyanide acts powerfully on the mucous membranes of the eye, causing irritation and heavy lachrymation. It was proposed as a toxic lachrymatory agent at the end of World War I and an irritant gas for law enforcement. It is chemically and biologically similar to Benzyl cyanide. Benzyl cyanide and its derivatives are used in organic synthesis for dyes, perfumes, pesticides, pharmaceuticals, especially penicillin precursors. |
| FRCD ID | F04328 |
| CAS Number | 5798-79-8 |
| PubChem CID | 22044 |
| Formula | C8H6BrN |
| IUPAC Name | 2-bromo-2-phenylacetonitrile |
| InChI Key | XUHFBOUSHUEAQZ-UHFFFAOYSA-N |
| InChI | InChI=1S/C8H6BrN/c9-8(6-10)7-4-2-1-3-5-7/h1-5,8H |
| Canonical SMILES | C1=CC=C(C=C1)C(C#N)Br |
| Isomeric SMILES | C1=CC=C(C=C1)C(C#N)Br |
| Synonyms |
2-bromo-2-phenylacetonitrile
Bromobenzyl cyanide
5798-79-8
Bromo(phenyl)acetonitrile
Camite
Brombenzyl cyanide
Bromobenzylcyanide
Bromobenzylnitrile
alpha-Bromophenylacetonitrile
CA (Tear gas)
|
| Classifies |
Pollutant
Pesticide
|
| Update Date | Nov 13, 2018 17:07 |
Chemical Taxonomy
| Kingdom | Organic compounds |
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzene and substituted derivatives |
| Alternative Parents | |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Monocyclic benzene moiety - Nitrile - Carbonitrile - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Organobromide - Organohalogen compound - Alkyl halide - Alkyl bromide - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene. |
Properties
| Property Name | Property Value |
|---|---|
| Molecular Weight | 196.047 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 1 |
| Complexity | 141 |
| Monoisotopic Mass | 194.968 |
| Exact Mass | 194.968 |
| XLogP | 2.5 |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Isotope Atom Count | 0 |
| Covalently-Bonded Unit Count | 1 |