| Identification | More | [Name]
4-Bromophenylacetonitrile | [CAS]
16532-79-9 | [Synonyms]
2-(4-BROMOPHENYL)ACETONITRILE
4-BROMOBENZYL CYANIDE
4-BROMOPHENYLACETONITRILE
P-BROMOBENZYL CYANIDE
(P-BROMOPHENYL)ACETONITRILE
(p-bromophenyl)-acetonitril
4-bromo-benzeneacetonitril
4-Bromobenzeneacetonitrile
Acetonitrile, (p-bromophenyl)-
4-Bromophenylacetonitrile, 97+%
p-Bromobenzyl
p-Bromophenylacetonile
4-BROMOPHENYLACETONITRILE/4-BROMOBENZYL CYANIDE
4-BROMOPHENYLACETONITRILE 99% | [EINECS(EC#)]
240-602-2 | [Molecular Formula]
C8H6BrN | [MDL Number]
MFCD00001916 | [Molecular Weight]
196.04 | [MOL File]
16532-79-9.mol |
| Chemical Properties | Back Directory | [Appearance]
colorless to pale brown crystalline mass | [Melting point ]
47-49 °C (lit.) | [Boiling point ]
116-118°C 3mm | [density ]
1.49 | [refractive index ]
1.6550 (estimate) | [Fp ]
>230 °F
| [storage temp. ]
Sealed in dry,Room Temperature | [solubility ]
Chloroform (Sparingly), Ethyl Acetate (Sparingly) | [form ]
Crystalline Mass | [color ]
Colorless to pale brown | [Water Solubility ]
slightly soluble | [BRN ]
1861069 | [Exposure limits]
NIOSH: IDLH 25 mg/m3 | [InChI]
1S/C8H6BrN/c9-8-3-1-7(2-4-8)5-6-10/h1-4H,5H2 | [InChIKey]
MFHFWRBXPQDZSA-UHFFFAOYSA-N | [SMILES]
Brc1ccc(CC#N)cc1 | [CAS DataBase Reference]
16532-79-9(CAS DataBase Reference) | [NIST Chemistry Reference]
Benzeneacetonitrile, 4-bromo-(16532-79-9) | [EPA Substance Registry System]
16532-79-9(EPA Substance) |
| Questions And Answer | Back Directory | [Synthesis]
A suspension of 4-bromobenzyl bromide (5.00 g, 0.020 mol) and sodium cyanide (1.18 g, 0.024 mol, 1.2 equivalents) in DMF-water (9:1, 35 ml) was stirred at 40°C for 12 hours. The reaction mixture was quenched with water and extracted with EtOAc. The combined organic compounds were washed successively with NaCl(sat) and dried over Na2SO4. The solvent was removed under reduced pressure to give 3.9 g (89%) of the desired product. |
| Safety Data | Back Directory | [Symbol(GHS) ]
GHS06 | [Signal word ]
Danger | [Hazard statements ]
H301-H312+H332-H315-H319-H335-H311-H331 | [Precautionary statements ]
P261-P280-P301+P310-P305+P351+P338-P280h-P309-P310-P361 | [Hazard Codes ]
Xn,Xi | [Risk Statements ]
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S38:In case of insufficient ventilation, wear suitable respiratory equipment . | [RIDADR ]
3276 | [WGK Germany ]
3
| [RTECS ]
AL8090000
| [Hazard Note ]
Irritant | [TSCA ]
Yes | [REACH Registrations]
Active | [HazardClass ]
6.1 | [PackingGroup ]
III | [HS Code ]
29269090 | [Storage Class]
11 - Combustible Solids | [Hazard Classifications]
Acute Tox. 4 Dermal
Acute Tox. 4 Inhalation
Acute Tox. 4 Oral
Aquatic Chronic 3
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 | [Safety Profile]
Poison by intravenous
route. See also BROMIDES and NITRILES. When heated to decomposition
it emits very toxic fumes of Br-, NOx, and
CN-. |
| Hazard Information | Back Directory | [Chemical Properties]
colorless to pale brown crystalline mass | [Uses]
4-Bromophenylacetonitrile is a chemical model used for the study and analysis of human buccal absorption of pharmaceuticals.
| [General Description]
4-Bromophenylacetonitrile undergoes reduction using 1,1,3,3-tetramethyldisiloxane activated by a non-toxic titanium(IV) isopropoxide to yield 4-bromophenylethylamine. |
|
| Company Name: |
J & K SCIENTIFIC LTD.
|
| Telephone: |
18210857532 18210857532 |
| Website: |
https://www.jkchemical.com |
| Company Name: |
Alfa Aesar
|
| Telephone: |
400-6106006 |
| Website: |
http://chemicals.thermofisher.cn |
| Company Name: |
Energy Chemical
|
| Telephone: |
400-0056266 |
| Website: |
www.energy-chemical.com |
|