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| CAS No.: | 90914-81-1 |
|---|---|
| Name: | 4'-BROMO-3'-METHYLACETANILIDE |
| Article Data: | 16 |
| Molecular Structure: | |
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| Formula: | C9H10BrNO |
| Molecular Weight: | 228.088 |
| Synonyms: | m-Acetotoluidide,4'-bromo- (6CI,7CI);3-Methyl-4-bromo-N-acetylaniline;4'-Bromo-3'-methylacetanilide;N-(4-Bromo-3-methylphenyl)acetamide; |
| Density: | 1.471 g/cm3 |
| Melting Point: | 102-104°C |
| Boiling Point: | 350.7 °C at 760 mmHg |
| Flash Point: | 165.9 °C |
| Hazard Symbols: | Xn |
| Risk Codes: | 22 |
| PSA: | 29.10000 |
| LogP: | 2.78890 |
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- Total:34 Page 1 of 1 1
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Specification
This chemical is called N-Acetyl 4-Bromo-3-methylaniline, and its systematic name is N-(4-bromo-3-methylphenyl)acetamide. With the molecular formula of C9H10BrNO, its product categories are Anilines, Amides & Amines;Bromine Compounds. The CAS registry number of this chemical is 90914-81-1. In addition, this chemical should be sealed in the cool and dry place, away from oxides.
Other characteristics of the N-Acetyl 4-Bromo-3-methylaniline can be summarised as followings: (1)ACD/LogP: 2.75; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.75; (4)ACD/LogD (pH 7.4): 2.75; (5)ACD/BCF (pH 5.5): 72.45; (6)ACD/BCF (pH 7.4): 72.45; (7)ACD/KOC (pH 5.5): 746.52; (8)ACD/KOC (pH 7.4): 746.52; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 20.31 Å2; (13)Index of Refraction: 1.6; (14)Molar Refractivity: 53.03 cm3; (15)Molar Volume: 154.9 cm3; (16)Polarizability: 21.02×10-24cm3; (17)Surface Tension: 44 dyne/cm; (18)Density: 1.471 g/cm3; (19)Flash Point: 165.9 °C; (20)Enthalpy of Vaporization: 59.53 kJ/mol; (21)Boiling Point: 350.7 °C at 760 mmHg; (22)Vapour Pressure: 4.33E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: Brc1ccc(NC(=O)C)cc1C
2.InChI: InChI=1/C9H10BrNO/c1-6-5-8(11-7(2)12)3-4-9(6)10/h3-5H,1-2H3,(H,11,12)
3.InChIKey: BYZHUFNLXFFINU-UHFFFAOYAP