Benzonitrile,2-amino-5-bromo- (39263-32-6)

The IUPAC name of 2-Amino-5-bromobenzonitrile is 2-amino-5-bromobenzonitrile. With the CAS registry number 39263-32-6, it is also named as 2-Cyano-4-bromoaniline. The product's categories are Fine Chemical & Intermediates; Aromatic Nitriles; Pharmacetical; Benzene Nitrile; Anilines, Amides & Amines; Bromine Compounds; Nitriles; C6 to C7; Cyanides / Nitriles; Nitrogen Compounds. Besides, it is white to light yellow crystal powder, which should be stored in closed, cool and dry place.

The other characteristics of this product can be summarized as: (1)EINECS: 254-387-8; (2)H bond acceptors: 2; (3)H bond donors: 2; (4)Freely Rotating Bonds: 1; (5)Polar Surface Area: 27.03 Å²; (6)Index of Refraction: 1.652; (7)Molar Refractivity: 42.65 cm³; (8)Molar Volume: 116.6 cm³; (9)Polarizability: 16.91×10^-24cm³; (10)Surface Tension: 65.7 dyne/cm; (11)Density: 1.68 g/cm³; (12)Flash Point: 128.2 °C; (13)Melting point: 93-98 °C; (14)Enthalpy of Vaporization: 52.76 kJ/mol; (15)Boiling Point: 288.4 °C at 760 mmHg; (16)Vapour Pressure: 0.00235 mmHg at 25 °C.

Preparation of 2-Amino-5-bromobenzonitrile: this chemical can be prepared by 2-Amino-benzonitrile.



This reaction needs N-Bromosuccinimide and CH₂Cl₂ at temperature of 0 °C. The reaction time is 1.25 hours. The yield is 94 %.

Uses of 2-Amino-5-bromobenzonitrile: it can react with Oxalic acid dimethyl ester to get 5-Bromo-N-methylanthranilonitrile.



This reaction needs N,N-Dimethyl-acetamide and KOtBu by heating. The yield is 61 %.

When you are using this chemical, please be cautious about it as the following: it is harmful by inhalation, in contact with skin and if swallowed. Please do not breathe dust. And the product is irritating to eyes, respiratory system and skin. It also may cause sensitization by skin contact. You should wear suitable protective clothing, gloves and eye/face protection when use it. Moreover, in case of contact with eyes, please rinse immediately with plenty of water and seek medical advice.

People can use the following data to convert to the molecule structure.
(1)SMILES:Brc1cc(C#N)c(N)cc1
(2)InChI:InChI=1/C7H5BrN2/c8-6-1-2-7(10)5(3-6)4-9/h1-3H,10H2
(3)InChIKey:OATYCBHROMXWJO-UHFFFAOYAX
(4)Std. InChI:InChI=1S/C7H5BrN2/c8-6-1-2-7(10)5(3-6)4-9/h1-3H,10H2
(5)Std. InChIKey:OATYCBHROMXWJO-UHFFFAOYSA-N