4-BROMOBENZAMIDE

The CAS register number of Benzamide, 4-bromo- is 698-67-9. It also can be called as p-Bromobenzoic acid amide and the IUPAC name about this chemical is 4-bromobenzamide. The molecular formula about this chemical is C₇H₆BrNO and the molecular weight is 200.03. It belongs to the following product categories which include Blocks; Bromides; Carboxes; Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts; Anilines, Amides & Amines; Bromine Compounds; Amides; Carbonyl Compounds; Organic Building Blocks and so on.

Physical properties about Benzamide, 4-bromo- are: (1)ACD/LogP: 1.76; (2)ACD/LogD (pH 5.5): 1.76; (3)ACD/LogD (pH 7.4): 1.76; (4)ACD/BCF (pH 5.5): 12.81; (5)ACD/BCF (pH 7.4): 12.81; (6)ACD/KOC (pH 5.5): 215.99; (7)ACD/KOC (pH 7.4): 215.99; (8)#H bond acceptors: 2; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 20.31Ų; (12)Index of Refraction: 1.605; (13)Molar Refractivity: 42.87 cm³; (14)Molar Volume: 124.3 cm³; (15)Polarizability: 16.99x10^-24cm³; (16)Surface Tension: 50.9 dyne/cm; (17)Enthalpy of Vaporization: 55.07 kJ/mol; (18)Boiling Point: 309.9 °C at 760 mmHg; (19)Vapour Pressure: 0.000621 mmHg at 25°C.

Preparation: this chemical can be prepared by N-(p-bromobenzoyl)dichloroselenimide. This reaction will need reagent HCl and solvent CCl₄. The reaction time is 1 hour(s) with reaction temperature of 20 °C. The objective of this reaction is Product distribution. The yield is about 84%.

Uses of Benzamide, 4-bromo-: it can be used to produce N-(4-bromobenzoyl)-N'-(4-bromophenyl)urea at ambient temperature. This reaction will need reagent tetrabutylammonium tribromide (TBA Br₃), DBU and solvent CH₂Cl₂ with reaction time of 1 hours. The yield is about 50%.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1ccc(Br)cc1)N
(2)InChI: InChI=1/C7H6BrNO/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H2,9,10)
(3)InChIKey: ZRWNRAJCPNLYAK-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C7H6BrNO/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H2,9,10)
(5)Std. InChIKey: ZRWNRAJCPNLYAK-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LDLo	intraperitoneal	400mg/kg (400mg/kg)		Journal of the American Pharmaceutical Association, Scientific Edition. Vol. 48, Pg. 419, 1959.