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3,5-Dibromobenzamide

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Name

3,5-Dibromobenzamide

EINECS N/A
CAS No. 175205-85-3 Density 1.985 g/cm3
PSA 43.09000 LogP 3.01080
Solubility N/A Melting Point 187-190 °C
Formula C7H5Br2NO Boiling Point 304.7 °C at 760 mmHg
Molecular Weight 278.931 Flash Point 138.1 °C
Transport Information UN 2811 6.1/PG 3 Appearance N/A
Safety 26-36 Risk Codes 36/37/38-22
Molecular Structure Molecular Structure of 175205-85-3 (3,5-dibromobenzamide) Hazard Symbols IrritantXi; HarmfulXn
Synonyms

benzamide, 3,5-dibromo-;

Article Data 5

3,5-Dibromobenzamide Specification

The 3,5-Dibromobenzamide, with the CAS registry number 175205-85, is also called benzamide, 3,5-dibromo-. It belongs to the following product categories: Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts; Amides; Carbonyl Compounds; Organic Building Blocks. And the molecular formula of the chemical is C7H5Br2NO.

The characteristics of 3,5-Dibromobenzamide are as followings: (1)ACD/LogP: 2.51; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.51; (4)ACD/LogD (pH 7.4): 2.51; (5)ACD/BCF (pH 5.5): 47.83; (6)ACD/BCF (pH 7.4): 47.83; (7)ACD/KOC (pH 5.5): 554.59; (8)ACD/KOC (pH 7.4): 554.59; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 20.31 Å2; (13)Index of Refraction: 1.639; (14)Molar Refractivity: 50.56 cm3; (15)Molar Volume: 140.5 cm3; (16)Polarizability: 20.04×10-24cm3; (17)Surface Tension: 55 dyne/cm; (18)Density: 1.985 g/cm3; (19)Flash Point: 138.1 °C; (20)Enthalpy of Vaporization: 54.51 kJ/mol; (21)Boiling Point: 304.7 °C at 760 mmHg; (22)Vapour Pressure: 0.000861 mmHg at 25°C. 

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin, and it is also harmful if swallowed. Therefore, you had better take the following instructions: Wear suitable protective clothing, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Brc1cc(C(=O)N)cc(Br)c1
(2)InChI: InChI=1/C7H5Br2NO/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3H,(H2,10,11)
(3)InChIKey: IOFGMNBDIDEBIQ-UHFFFAOYAF

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