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4-Bromo-3-methylaniline

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Name

4-Bromo-3-methylaniline

EINECS 230-056-3
CAS No. 6933-10-4 Density 1.498 g/cm3
PSA 26.02000 LogP 2.92090
Solubility N/A Melting Point 80-82 °C(lit.)
Formula C7H8BrN Boiling Point 240 °C at 760 mmHg
Molecular Weight 186.051 Flash Point 101.2 °C
Transport Information N/A Appearance grey to brownish crystalline powder
Safety 26-37/39-24/25 Risk Codes 20/21/22-36/37/38-33
Molecular Structure Molecular Structure of 6933-10-4 (4-Bromo-3-methylaniline) Hazard Symbols IrritantXi; HarmfulXn
Synonyms

m-Toluidine,4-bromo- (6CI,7CI,8CI);3-Methyl-4-bromoaniline;4-Bromo-3-methylaniline;4-Bromo-3-methylbenzenamine;4-Bromo-m-toluidine;5-Amino-2-bromotoluene;

Article Data 35

4-Bromo-3-methylaniline Specification

The Benzenamine,4-bromo-3-methyl-, with CAS registry number 6933-10-4, belongs to the following product categories: (1)Anilines, Aromatic Amines and Nitro Compounds; (2)Miscellaneous; (3)Anilines, Amides & Amines; (4)Bromine Compounds. It has the systematic name of 4-bromo-3-methylaniline. This chemical is a kind of grey to brownish crystalline powder. What's more, its EINECS is 230-056-3.

Physical properties of Benzenamine,4-bromo-3-methyl-: (1)ACD/LogP: 2.51; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.5; (4)ACD/LogD (pH 7.4): 2.51; (5)ACD/BCF (pH 5.5): 46.1; (6)ACD/BCF (pH 7.4): 47.59; (7)ACD/KOC (pH 5.5): 535.19; (8)ACD/KOC (pH 7.4): 552.46; (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: 101.2 °C; (20)Enthalpy of Vaporization: 47.69 kJ/mol; (21)Boiling Point: 240 °C at 760 mmHg; (22)Vapour Pressure: 0.0389 mmHg at 25°C.

Preparation: this chemical can be prepared by 2-bromo-5-nitro-toluene. This reaction will need reagents In, aq. HCl and solvent tetrahydrofuran. The reaction time is 1 hour(s) with reaction temperature of 20 ℃. The yield is about 84%.

When you are using this chemical, please be cautious about it as the following:
The Benzenamine,4-bromo-3-methyl- irritates to eyes, respiratory system and skin. And this chemical is harmful by inhalation, in contact with skin and if swallowed. And it has danger of cumulative effects. You should avoid contact with skin and eyes. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc1ccc(N)cc1C
(2)InChI: InChI=1/C7H8BrN/c1-5-4-6(9)2-3-7(5)8/h2-4H,9H2,1H3
(3)InChIKey: MMEGELSFOYDPQW-UHFFFAOYAJ
(4)Std. InChI: InChI=1S/C7H8BrN/c1-5-4-6(9)2-3-7(5)8/h2-4H,9H2,1H3
(5)Std. InChIKey: MMEGELSFOYDPQW-UHFFFAOYSA-N

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