CAS No.54879-20-8,2-BROMO-3-METHYLANILINE 98 Suppliers

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Basic Information

Molecular Structure:
CAS No.:	54879-20-8
Name:	2-BROMO-3-METHYLANILINE 98
Article Data:	21

Formula:	C₇H₈BrN
Molecular Weight:	186.051
Synonyms:	2-Bromo-3-methylaniline;2-Bromo-3-methylbenzenamine;2-Bromo-3-methylphenylamine;2-Bromo-m-toluidine;2-bromo-3-methylaniline;
Density:	1.498 g/cm³
Boiling Point:	244.7 °C at 760 mmHg
Flash Point:	101.8 °C
Hazard Symbols:	Xn
Risk Codes:	22-43
Safety:	36/37
PSA:	26.02000
LogP:	2.92090

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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