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Cas Database |
| Name |
5-Bromo-2-methylaniline |
EINECS | 254-467-2 |
| CAS No. | 39478-78-9 | Density | 1.498 g/cm3 |
| PSA | 26.02000 | LogP | 2.92090 |
| Solubility | N/A | Melting Point |
33 °C(lit.) |
| Formula | C7H8BrN | Boiling Point | 260.3 °C at 760 mmHg |
| Molecular Weight | 186.051 | Flash Point | 111.2 °C |
| Transport Information | N/A | Appearance | clear yellow to brown liquid after melting |
| Safety | 26-36-37/39 | Risk Codes | 20/21/22-36/37/38 |
| Molecular Structure |
|
Hazard Symbols |
 Xi,  Xn
|
| Synonyms |
2-Amino-4-bromotoluene;2-Methyl-5-bromoaniline;3-Bromo-6-methylaniline;5-Bromo-2-methylbenzenamine;5-Bromo-2-methylphenylamine;5-Bromo-o-toluidine; |
Article Data | 23 |
5-Bromo-2-methylaniline Synthetic route
- 60956-26-5
4-bromo-2-nitrotoluene
- 39478-78-9
5-bromo-2-methylaniline
| Conditions | Yield |
|---|---|
| With tin(II) chloride dihdyrate In ethyl acetate at 0℃; for 4h; Reflux; | 97% |
| With stannous chloride hydrate In ethyl acetate at 30℃; | 93% |
| With iron; ammonium chloride for 48h; Heating; | 92% |
- 106-38-7
para-bromotoluene
- 39478-78-9
5-bromo-2-methylaniline
| Conditions | Yield |
|---|---|
| With CH5NO3S*CHF3O3S; iron(II) sulfate In water; acetonitrile at 20℃; for 16h; | 71% |
- 119-32-4
4-Methyl-3-nitroanilin
- 39478-78-9
5-bromo-2-methylaniline
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1.1: H2SO4; NaNO2 1.2: 57.5 percent / CuBr 2.1: 84.5 percent / Fe; CH3COOH View Scheme |
| Conditions | Yield |
|---|---|
| With ammonium chloride In ethanol; water |
- 39478-78-9
5-bromo-2-methylaniline
| Conditions | Yield |
|---|---|
| With hydrogenchloride In dichloromethane for 3h; | 100% |
- 39478-78-9
5-bromo-2-methylaniline
- 110-13-4
2,5-hexanedione
- 1157455-13-4
1-(5-bromo-2-methyl-phenyl)-2,5-dimethyl-pyrrole
| Conditions | Yield |
|---|---|
| With hydrogenchloride In ethanol; water for 24h; Reflux; | 100% |
| hydrogenchloride In ethanol; water for 18h; Reflux; | 60% |
- 39478-78-9
5-bromo-2-methylaniline
| Conditions | Yield |
|---|---|
| With copper(l) iodide; sodium azide; sodium L-ascorbate; (1S,2S)-N,N'-dimethyl-1,2-diaminocyclohexane In ethanol for 0.5h; Heating; | 99% |
- 39478-78-9
5-bromo-2-methylaniline
- 407-25-0
trifluoroacetic anhydride
- 338451-90-4
N-(5-bromo-2-methylphenyl)-2,2,2-trifluoroacetamide
| Conditions | Yield |
|---|---|
| With triethylamine In dichloromethane for 1h; | 99% |
| In dichloromethane at 0℃; for 1h; | 76% |
| In dichloromethane at 20℃; for 1h; | 9.3 g |
| In dichloromethane at 20℃; for 1h; |
- 54060-30-9
3-acetylenephenylamine
- 39478-78-9
5-bromo-2-methylaniline
| Conditions | Yield |
|---|---|
| With sodium azide; trans-N,N'-dimethylcyclohexane-1,2-diamine; sodium L-ascorbate; copper(l) iodide In dimethyl sulfoxide at 70℃; for 12h; | 98% |
5-Bromo-2-methylaniline Specification
The IUPAC name of 5-Bromo-2-methylaniline is 5-bromo-2-methylaniline. With the CAS registry number 39478-78-9, it is also named as 5-Bromo-o-toluidine. The product's categories are Fluorin-contained toluene series; Amines; blocks; Bromides; Aromatic Hydrocarbons (substituted) & Derivatives; API intermediates; Miscellaneous; Anilines, Amides & Amines; Bromine Compounds; Benzenes. Besides, it is clear yellow to brown liquid after melting, which should be stored in closed, cool and dry place. In addition, its molecular formula is C7H8BrN and molecular weight is 186.05.
The other characteristics of 5-Bromo-2-methylaniline can be summarized as: (1)EINECS: 254-467-2; (2)ACD/LogP: 2.56; (3)# of Rule of 5 Violations: 0; (4)ACD/LogD (pH 5.5): 2.56; (5)ACD/LogD (pH 7.4): 2.56; (6)ACD/BCF (pH 5.5): 51.57; (7)ACD/BCF (pH 7.4): 51.95; (8)ACD/KOC (pH 5.5): 584.02; (9)ACD/KOC (pH 7.4): 588.36; (10)H bond acceptors: 1; (11)H bond donors: 2; (12)Freely Rotating Bonds: 1; (13)Index of Refraction: 1.609; (14)Molar Refractivity: 43 cm3; (15)Molar Volume: 124.1 cm3; (16)Surface Tension: 44.7 dyne/cm; (17)Density: 1.498 g/cm3; (18)Flash Point: 111.2 °C; (19)Melting Point: 33 °C; (20)Enthalpy of Vaporization: 49.8 kJ/mol; (21)Boiling Point: 260.3 °C at 760 mmHg; (22)Vapour Pressure: 0.0123 mmHg at 25 °C.
When you are using this chemical, please be cautious about it as the following: it is harmful by inhalation, in contact with skin and if swallowed. It is also irritating to eyes, respiratory system and skin. You should wear suitable protective clothing, gloves and eye/face protection when use it. Moreover, in case of contact with eyes, please rinse immediately with plenty of water and seek medical advice.
People can use the following data to convert to the molecule structure.
(1)SMILES:Brc1cc(N)c(cc1)C
(2)InChI:InChI=1/C7H8BrN/c1-5-2-3-6(8)4-7(5)9/h2-4H,9H2,1H3
(3)InChIKey:RXQNKKRGJJRMKD-UHFFFAOYAB
(4)Std. InChI:InChI=1S/C7H8BrN/c1-5-2-3-6(8)4-7(5)9/h2-4H,9H2,1H3
(5)Std. InChIKey:RXQNKKRGJJRMKD-UHFFFAOYSA-N
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