Basic information
- Name:
4-Bromo-2,6-dimethylaniline
- CAS No.:
24596-19-8
- Molecular Structure:
- Formula:
- C8H10BrN
- Molecular Weight:
- 200.08
- Synonyms:
- 2,6-Dimethyl-4-bromoaniline;4-Bromo-2,6-dimethyl-phenylamine;4-Bromo-2,6-xylidine;4-bromo-2,6-dimethyl-aniline;
- EINECS:
- 246-337-9
- Density:
- 1.424 g/cm3
- Melting Point:
- 48-51 °C(lit.)
- Boiling Point:
- 258.8 °C at 760 mmHg
- Flash Point:
- 110.3 °C
- Appearance:
- brown crystals
- Hazard Symbols:
Xn,
Xi- Risk Codes:
- 43-36/37/38-20/21/22
- Safety Description:
- 36/37/39-26 Details
- Transport Information:
- UN 2811/6.1/III
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Specification
This product is an organic compound with the formula C8H10BrN. The systematic name of this chemical is 4-Bromo-2,6-dimethylaniline. It belongs to the product categories of Aromatic Halides (substituted); Aniline; Benzenes; Anilines, Amides & Amines; Bromine Compounds. Its EINECS number is 246-337-9. With the CAS registry number 24596-19-8, it is also named as 2,6-Dimethyl-4-bromoaniline. In addition, the molecular weight is 200.08. It should be sealed and stored in a cool and dry place. Moreover, it should be protected from oxides.
Physical properties of 4-Bromo-2,6-dimethylaniline are: (1)ACD/LogP: 2.97; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.96; (4)ACD/LogD (pH 7.4): 2.97; (5)ACD/BCF (pH 5.5): 105.17; (6)ACD/BCF (pH 7.4): 106.48; (7)ACD/KOC (pH 5.5): 971.3; (8)ACD/KOC (pH 7.4): 983.32; (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: 1.596; (14)Molar Refractivity: 47.82 cm3; (15)Molar Volume: 140.4 cm3; (16)Polarizability: 18.96×10-24cm3; (17)Surface Tension: 42.6 dyne/cm; (18)Density: 1.424 g/cm3; (19)Flash Point: 110.3 °C; (20)Enthalpy of Vaporization: 49.64 kJ/mol; (21)Boiling Point: 258.8 °C at 760 mmHg; (22)Vapour Pressure: 0.0134 mmHg at 25°C.
Preparation: this chemical can be prepared by 2,6-dimethyl-aniline at the ambient temperature. This reaction will need reagent Br2 and solvent pyridine with the reaction time of 45 min. The yield is about 89%.
Uses of 4-Bromo-2,6-dimethylaniline: it can be used to produce 3,5-dimethyl-biphenyl-4-ylamine by heating. It will need reagents 2M Na2CO3, tetra-kis(triphenylphosphine)-palladium and solvents toluene, ethanol with the reaction time of 48 hours. The yield is about 39%.
When you are using this chemical, please be cautious about it as the following:
This chemical is harmful by inhalation, in contact with skin and if swallowed. It is irritating to eyes, respiratory system and skin. It may cause sensitisation by skin contact. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing, gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)SMILES: Brc1cc(c(N)c(c1)C)C
(2)Std. InChI: InChI=1S/C8H10BrN/c1-5-3-7(9)4-6(2)8(5)10/h3-4H,10H2,1-2H3
(3)Std. InChIKey: QGLAYJCJLHNIGJ-UHFFFAOYSA-N
