| Identification | More | [Name]
2-Cyanobenzyl bromide | [CAS]
22115-41-9 | [Synonyms]
2-(BROMOMETHYL)BENZONITRILE
2-CYANOBENZYL BROMIDE
A-BROMO-O-TOLUNITRILE
AKOS 92624
AKOS BBS-00000052
ALPHA-BROMO-O-TOLUNITRILE
ALPHA-BROMO-O-TOLUONITRILE
O-CYANOBENZYL BROMIDE
alpha-bromo-ortho-tolunitrile
ALPHA-BROMO-ORTHO-TOLUNITRILE, 97+%
Alpha-Bromo-O-Tolunitrile98%
Benzonitrile, 2-(bromomethyl)-
à-bromo-o-tolunitrile
α-bromo-o-tolunitrile
2-Cyanobenzyl bromide 98%
2-Cyanobenzylbromide98%
2-CYANIDE BENZYL BROMIDE 99+%
α-Bromo-o-toluntrile
a-Bromo-o-tolunitrile, (2-Cyanobenzyl bromide)
2-(Bromomethyl)benzonitrile, 97%-(See B24278) | [EINECS(EC#)]
628-473-4 | [Molecular Formula]
C8H6BrN | [MDL Number]
MFCD00001794 | [Molecular Weight]
196.04 | [MOL File]
22115-41-9.mol |
| Chemical Properties | Back Directory | [Appearance]
White to light yellow crystal powder | [Melting point ]
72-74 °C(lit.)
| [Boiling point ]
111 °C / 1.5mmHg | [density ]
1.5466 (rough estimate) | [refractive index ]
1.6550 (estimate) | [storage temp. ]
Keep in dark place,Sealed in dry,Room Temperature | [Water Solubility ]
Slightly soluble in water | [form ]
Crystalline Powder or Chunks | [color ]
White to gray-brown | [Detection Methods]
GC | [BRN ]
742605 | [InChIKey]
QGXNHCXKWFNKCG-UHFFFAOYSA-N | [CAS DataBase Reference]
22115-41-9(CAS DataBase Reference) |
| Safety Data | Back Directory | [Hazard Codes ]
C | [Risk Statements ]
R34:Causes burns. | [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 .
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 | [HazardClass ]
8 | [PackingGroup ]
II | [HS Code ]
29269090 |
| Hazard Information | Back Directory | [Description]
2-(Bromomethyl)benzonitrile reacts with 2H-tetrazole in the presence of KOH to yield 4-[(2H-tetra-zol-2-yl)meth-yl]benzonitrile. It undergoes base-promoted condensation reaction with homophthalic anhydride to yield 6,11-dihydro-5H-indeno[1,2-c]isoquinolin-5-one. | [Chemical Properties]
White to light yellow crystal powder | [Uses]
2-(Bromomethyl)benzonitrile is an intermediate in the synthesis of Alogliptin, an oral antihyperglycemic agent that is a selective inhibitor of the enzyme dipeptidyl peptidase-4 (DPP-4). Antidiabetic agent.
Not a dangerous good if item is equal to or less than 1g/ml and there is less than 100g/ml in the package. | [General Description]
2-(Bromomethyl)benzonitrile reacts with 2H-tetrazole in the presence of KOH to yield 4-[(2H-tetra-zol-2-yl)meth-yl]benzonitrile. It undergoes base-promoted condensation reaction with homophthalic anhydride to yield 6,11-dihydro-5H-indeno[1,2-c]isoquinolin-5-one. | [Purification Methods]
Purify the nitrile by steam distillation. Extract the distillate with Et2O, dry the extract (Na2SO4), evaporate and distil the residue. The solidified distillate can be recrystallised from pet ether or cyclohexane. NMR (CDCl3) : 7.8-7.2 (m 4H), 4.62 (s, 2H), IR max 2238 cm1 . [Drory Chem Ber 24 2570 1891, Borsche et al. Chem Ber 74 685 1934, Buckley et al. Aust J Chem 22 594 1969, Beilstein 9 III 2312.] LACHRYMATORY. |
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