| Identification | More | [Name]
4-Cyanobenzyl bromide | [CAS]
17201-43-3 | [Synonyms]
4-(BROMOMETHYL)BENZONITRILE
4CNBB
4-CYANOBENZYL BROMIDE
A-BROMO-P-TOLUNITRILE
AKOS BBS-00003970
AKOS BC-3028
ALPHA-BROMO-P-TOLUNITRILE
ALPHA-BROMO-P-TOLUONITRILE
BROMO(ALPHA-)-P-TOLUNITRILE
CYANOBENZYLBROMIDE(P-)
P-CYANOBENZYL BROMIDE
4-(bromomethyl)-benzonitril
Benzonitrile, 4-(bromomethyl)-
Benzonitrile, p-(bromomethyl)-
p-(Bromomethyl)benzonitrile
p-Tolunitrile, alpha-bromo-
p-Toluonitrile, alpha-bromo-
alpha-bromo-para-tolunitrile
4-(Bromomethyl)benzonitrile/alpha-Bromo-p-tolunitrile
4-Cyanobenzylbromide/4-CNBB | [EINECS(EC#)]
241-246-0 | [Molecular Formula]
C8H6BrN | [MDL Number]
MFCD00001829 | [Molecular Weight]
196.04 | [MOL File]
17201-43-3.mol |
| Chemical Properties | Back Directory | [Appearance]
white to light yellow crystal powde | [Melting point ]
115-117 °C(lit.)
| [Boiling point ]
143 °C / 12mmHg | [density ]
1.5466 (rough estimate) | [refractive index ]
1.6550 (estimate) | [storage temp. ]
Store at 0-5°C | [solubility ]
Chloroform (Slightly), Methanol (Slightly) | [form ]
Liquid | [color ]
Clear colorless to yellow | [Water Solubility ]
Soluble in chloroform and methanol. Insoluble in water. | [Usage]
A benzyl halide as postemergence herbicides. | [Detection Methods]
GC,NMR | [BRN ]
636717 | [InChI]
InChI=1S/C8H6BrN/c9-5-7-1-3-8(6-10)4-2-7/h1-4H,5H2 | [InChIKey]
UMLFTCYAQPPZER-UHFFFAOYSA-N | [SMILES]
C(#N)C1=CC=C(CBr)C=C1 | [CAS DataBase Reference]
17201-43-3(CAS DataBase Reference) | [NIST Chemistry Reference]
«ALPHA»-bromo-p-tolunitrile(17201-43-3) | [Storage Precautions]
Moisture sensitive | [EPA Substance Registry System]
17201-43-3(EPA Substance) |
| Safety Data | Back Directory | [Hazard Codes ]
C | [Risk Statements ]
R34:Causes burns.
R42/43:May cause sensitization by inhalation and skin contact . | [Safety Statements ]
S22:Do not breathe dust .
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 .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) . | [RIDADR ]
UN 3261 8/PG 2
| [WGK Germany ]
3
| [F ]
10-19-21 | [Hazard Note ]
Corrosive | [TSCA ]
Yes | [HazardClass ]
8 | [PackingGroup ]
II | [HS Code ]
29269090 |
| Questions And Answer | Back Directory | [Chemical Properties]
4-Cyanobenzyl bromide (C8H6BrN, CAS registry No. 17201-43-3) is a white solid. Its melting point is 113-117°C, and flash point is 125.1°C. It is insoluble in water at 20°C. It is stable under normal temperatures and pressures. It should be stored at 0-5°C.
| [Uses]
4-Cyanobenzyl bromide is an important intermediate for pharmaceutical production. It can be used for the synthesis of a series of piperidine-linked aromatic diimidazolines, which have been synthesized as conformationally restricted congeners of the anti-Pneumocystis carinii (PCP) drug, Pentamidine.
|
| Hazard Information | Back Directory | [General Description]
4-(Bromomethyl)benzonitrile reacts with 2H-tetrazole in the presence of KOH to yield 4-[(2H-tetra-zol-2-yl)methyl]benzonitrile. |
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