N-Acetyl 4-Bromo-3-methylaniline supplier

Name
4'-BROMO-3'-METHYLACETANILIDE
EINECS
CAS No. 90914-81-1
Article Data16
CAS DataBase
Density 1.471 g/cm³
Solubility
Melting Point 102-104°C
Formula C₉H₁₀BrNO
Boiling Point 350.7 °C at 760 mmHg
Molecular Weight 228.088
Flash Point 165.9 °C
Transport Information
Appearance
Safety
Risk Codes 22
Molecular Structure
Hazard Symbols Xn
Synonyms m-Acetotoluidide,4'-bromo- (6CI,7CI);3-Methyl-4-bromo-N-acetylaniline;4'-Bromo-3'-methylacetanilide;N-(4-Bromo-3-methylphenyl)acetamide;
PSA 29.10000
LogP 2.78890

N-Acetyl 4-Bromo-3-methylaniline 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

Product Name

4'-BROMO-3'-METHYLACETANILIDE

N-Acetyl 4-Bromo-3-methylaniline Specification

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