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| CAS No.: | 170229-98-8 |
|---|---|
| Name: | 4-BROMO-3-METHYLBENZAMIDE |
| Article Data: | 3 |
| Molecular Structure: | |
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| Formula: | C8H8BrNO |
| Molecular Weight: | 214.062 |
| Synonyms: | 4-Bromo-3-methylbenzamide; |
| Density: | 1.522g/cm3 |
| Melting Point: | 182-185°C |
| Boiling Point: | 280.4 °C at 760 mmHg |
| Flash Point: | 123.4 °C |
| Hazard Symbols: | Xn |
| Risk Codes: | 22 |
| Safety: | 22-24/25 |
| PSA: | 43.09000 |
| LogP: | 2.55670 |
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- Total:30 Page 1 of 1 1
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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