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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 | Hazard Symbols | Xi; Xn | |
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 |
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