2-Bromo-3-methylaniline supplier

Name
2-BROMO-3-METHYLANILINE 98
EINECS
CAS No. 54879-20-8
Article Data21
CAS DataBase
Density 1.498 g/cm³
Solubility
Melting Point
Formula C₇H₈BrN
Boiling Point 244.7 °C at 760 mmHg
Molecular Weight 186.051
Flash Point 101.8 °C
Transport Information
Appearance
Safety 36/37
Risk Codes 22-43
Molecular Structure
Hazard Symbols Xn
Synonyms 2-Bromo-3-methylaniline;2-Bromo-3-methylbenzenamine;2-Bromo-3-methylphenylamine;2-Bromo-m-toluidine;2-bromo-3-methylaniline;
PSA 26.02000
LogP 2.92090

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

Product Name

2-BROMO-3-METHYLANILINE 98

2-Bromo-3-methylaniline Specification

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