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Benzamide,4-bromo-3-methyl-

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Name

Benzamide,4-bromo-3-methyl-

EINECS N/A
CAS No. 170229-98-8 Density 1.522g/cm3
PSA 43.09000 LogP 2.55670
Solubility N/A Melting Point 182-185°C
Formula C8H8BrNO Boiling Point 280.4 °C at 760 mmHg
Molecular Weight 214.062 Flash Point 123.4 °C
Transport Information N/A Appearance N/A
Safety 22-24/25 Risk Codes 22
Molecular Structure Molecular Structure of 170229-98-8 (4-BROMO-3-METHYLBENZAMIDE) Hazard Symbols Xn
Synonyms

4-Bromo-3-methylbenzamide;

Article Data 3

Benzamide,4-bromo-3-methyl- Specification

The Benzamide,4-bromo-3-methyl-, with CAS registry number 170229-98-8, belongs to the following product categories: (1)Blocks; (2)Bromides; (3)Carboxes; (4)Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts; (5)Anilines, Amides & Amines; (6)Bromine Compounds. It has the systematic name of 4-bromo-3-methylbenzamide. And the chemical formula of this chemical is C8H8BrNO. When use this chemical, do not breathe dust and avoid contact with skin and eyes.

Physical properties of Benzamide,4-bromo-3-methyl-: (1)ACD/LogP: 2.22; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.22; (4)ACD/LogD (pH 7.4): 2.22; (5)ACD/BCF (pH 5.5): 28.66; (6)ACD/BCF (pH 7.4): 28.66; (7)ACD/KOC (pH 5.5): 384.35; (8)ACD/KOC (pH 7.4): 384.35; (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: 1.593; (14)Molar Refractivity: 47.69 cm3; (15)Molar Volume: 140.5 cm3; (16)Polarizability: 18.9×10-24cm3; (17)Surface Tension: 47.8 dyne/cm; (18)Density: 1.522 g/cm3; (19)Flash Point: 123.4 °C; (20)Enthalpy of Vaporization: 51.92 kJ/mol; (21)Boiling Point: 280.4 °C at 760 mmHg; (22)Vapour Pressure: 0.00378 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc1ccc(C(=O)N)cc1C
(2)InChI: InChI=1/C8H8BrNO/c1-5-4-6(8(10)11)2-3-7(5)9/h2-4H,1H3,(H2,10,11)
(3)InChIKey: ZPFPOZMNEKPBIF-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C8H8BrNO/c1-5-4-6(8(10)11)2-3-7(5)9/h2-4H,1H3,(H2,10,11)
(5)Std. InChIKey: ZPFPOZMNEKPBIF-UHFFFAOYSA-N

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