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2-Bromo-3-methylaniline

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Name

2-Bromo-3-methylaniline

EINECS N/A
CAS No. 54879-20-8 Density 1.498 g/cm3
PSA 26.02000 LogP 2.92090
Solubility N/A Melting Point N/A
Formula C7H8BrN Boiling Point 244.7 °C at 760 mmHg
Molecular Weight 186.051 Flash Point 101.8 °C
Transport Information N/A Appearance N/A
Safety 36/37 Risk Codes 22-43
Molecular Structure Molecular Structure of 54879-20-8 (2-BROMO-3-METHYLANILINE  98) Hazard Symbols HarmfulXn
Synonyms

2-Bromo-3-methylaniline;2-Bromo-3-methylbenzenamine;2-Bromo-3-methylphenylamine;2-Bromo-m-toluidine;2-bromo-3-methylaniline;

Article Data 21

2-Bromo-3-methylaniline Specification

The Benzenamine,2-bromo-3-methyl-, with the CAS registry number 54879-20-8, has the systematic name of 2-bromo-3-methylaniline. It belongs to the following product categories: Anilines, Amides & Amines; Bromine Compounds; Amines; C7; Nitrogen Compounds. And the molecular formula of the chemical is C7H8BrN.

The characteristics of Benzenamine,2-bromo-3-methyl- are as followings: (1)ACD/LogP: 2.65; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.65; (4)ACD/LogD (pH 7.4): 2.65; (5)ACD/BCF (pH 5.5): 61.15; (6)ACD/BCF (pH 7.4): 61.24; (7)ACD/KOC (pH 5.5): 660.89; (8)ACD/KOC (pH 7.4): 661.83; (9)#H bond acceptors: 1; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 3.24 Å2; (13)Index of Refraction: 1.609; (14)Molar Refractivity: 43 cm3; (15)Molar Volume: 124.1 cm3; (16)Polarizability: 17.04×10-24cm3; (17)Surface Tension: 44.7 dyne/cm; (18)Density: 1.498 g/cm3; (19)Flash Point: 101.8 °C; (20)nthalpy of Vaporization: 48.18 kJ/mol; (21)Boiling Point: 244.7 °C at 760 mmHg; (22)Vapour Pressure: 0.0298 mmHg at 25°C. 

You should be cautious while dealing with this chemical. It is harmful if swallowed, and it may also cause sensitization by skin contact. Therefore, you had better take the following instructions: Wear suitable protective clothing and gloves.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Brc1c(cccc1N)C
(2)InChI: InChI=1/C7H8BrN/c1-5-3-2-4-6(9)7(5)8/h2-4H,9H2,1H3
(3)InChIKey: VJNUZLYTGSGDHR-UHFFFAOYAG

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