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| CAS No.: | 583-70-0 |
|---|---|
| Name: | 2,4-Dimethylbromobenzene |
| Article Data: | 67 |
| Molecular Structure: | |
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| Formula: | C8H9Br |
| Molecular Weight: | 185.063 |
| Synonyms: | m-Xylene,4-bromo- (6CI,7CI,8CI);1,3-Dimethyl-4-bromobenzene;1-Bromo-2,4-dimethylbenzene;1-Bromo-2,4-xylene;2,4-Dimethylphenyl bromide;2-Bromo-5-methyltoluene;4-Bromo-1,3-dimethylbenzene;4-Bromo-1,3-xylene;4-Bromo-m-xylene;NSC 64734; |
| EINECS: | 209-517-8 |
| Density: | 1.339 g/cm3 |
| Melting Point: | -17°C |
| Boiling Point: | 207.212 °C at 760 mmHg |
| Flash Point: | 81.645 °C |
| Solubility: | Insoluble in water |
| Appearance: | Clear colourless to light yellow liquid |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 26-36-37/39 |
| PSA: | 0.00000 |
| LogP: | 3.06590 |
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| Conditions | Yield |
|---|---|
| With sulfuric acid; dihydrogen peroxide; sodium bromide In water at 49.84℃; | 98% |
| With N-Bromosuccinimide In acetonitrile at 0 - 20℃; Inert atmosphere; | 98% |
| With N-Bromosuccinimide In 1,2-dichloro-ethane at 60℃; for 10h; Sealed tube; | 97% |
- 135033-46-4
5-Bromo-6,8-dimethyl-2,3-dihydro-benzo[1,4]dithiine
- 583-70-0
1-bromo-2,4-dimethylbenzene
| Conditions | Yield |
|---|---|
| With Ni(Ra)-W2 In acetic acid at 40℃; for 0.833333h; | 90% |
| Conditions | Yield |
|---|---|
| With potassium phosphate; tetrabuthylammonium tribromide In acetonitrile at 100℃; for 16h; | 80% |
- 593-53-3
Methyl fluoride
- 106-38-7
para-bromotoluene
A
- 583-70-0
1-bromo-2,4-dimethylbenzene
B
- 583-71-1
4-bromo-o-xylene
| Conditions | Yield |
|---|---|
| With oxygen at 40℃; under 720 Torr; Mechanism; Irradiation; | A 72% B 28% |
- 87241-52-9
2,4-dimethylphenyl trifluoromethanesulfonate
- 583-70-0
1-bromo-2,4-dimethylbenzene
| Conditions | Yield |
|---|---|
| With tris-(dibenzylideneacetone)dipalladium(0); t-BuBrettPhos; triisobutylaluminum; butanone; potassium bromide In toluene at 100℃; for 20h; Inert atmosphere; | 66% |
| Conditions | Yield |
|---|---|
| With sodium bromate; sodium hydrogensulfite In cyclohexane; water at 20℃; for 4h; Bromination; | A 1% B 64% |
| With sodium bromate; sodium hydrogensulfite In water; acetonitrile at 20℃; for 4h; Bromination; | A 57% B n/a |
| With N-Bromosuccinimide at 150℃; under 2625.26 Torr; for 0.0666667h; microwave irradiation; | A 1.5 % Chromat. B 56 % Chromat. |
| Conditions | Yield |
|---|---|
| With hydrogen bromide diazotization; | 50% |
| With hydrogen bromide Diazotization.Behandlung der Diazoniumsalz-Loesung mit CuBr oder mit Kupfer-Pulver; |
- 593-53-3
Methyl fluoride
- 95-46-5
2-methylphenyl bromide
A
- 576-22-7
2-Bromo-m-xylene
B
- 553-94-6
4-bromo-m-xylene
C
- 583-70-0
1-bromo-2,4-dimethylbenzene
D
- 576-23-8
2,3-dimethylbromobenzene
| Conditions | Yield |
|---|---|
| With oxygen at 40℃; under 720 Torr; Mechanism; Irradiation; | A n/a B n/a C 13.7% D 32.8% |
| Conditions | Yield |
|---|---|
| With sodium bromide; sodium chloride In methanol at 21 - 23.5℃; Product distribution; Kinetics; investigations of thermal dediazoniation in various solvents as a function of viscosity; the reaction are diffusion controlled; | A 3.1% B 5.8% |
| Conditions | Yield |
|---|---|
| TfOH2+B(OTf)4- In toluene for 18h; Product distribution; Ambient temperature; | A 3.5 % Chromat. B 69.1 % Chromat. |
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Specification
The Benzene,1-bromo-2,4-dimethyl-, with CAS registry number 583-70-0, belongs to the following product categories: (1)Aromatic Hydrocarbons (substituted) & Derivatives; (2)Halogen toluene; (3)Benzene derivates; (4)Bromine Compounds. This chemical is a kind of clear colourless to light yellow liquid.
Physical properties of Benzene,1-bromo-2,4-dimethyl-: (1)ACD/LogP: 3.91; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.91; (4)ACD/LogD (pH 7.4): 3.91; (5)ACD/BCF (pH 5.5): 551.72; (6)ACD/BCF (pH 7.4): 551.72; (7)ACD/KOC (pH 5.5): 3192.44; (8)ACD/KOC (pH 7.4): 3192.44; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: Å2; (13)Index of Refraction: 1.543; (14)Molar Refractivity: 43.59 cm3; (15)Molar Volume: 138.1 cm3; (16)Polarizability: 17.28×10-24cm3; (17)Surface Tension: 33.7 dyne/cm; (18)Enthalpy of Vaporization: 42.54 kJ/mol; (19)Vapour Pressure: 0.328 mmHg at 25°C.
Preparation: this chemical can be prepared by 1,3-dimethyl-benzene. This reaction will need reagents NaBiO3, ZnBr2 and solvent acetic acid. The reaction time is 3 hour(s) with reaction temperature of 20 ℃. The yield is about 82%.
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Uses of p-Chloropropiophenone: it can be used to produce 2,4,2',4'-Tetramethyl-biphenyl. This reaction will need solvent dimethylformamide. The reaction time is 4 hour(s) with reaction temperature of 60 - 80 ℃. The yield is about 79%.
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When you are using this chemical, please be cautious about it as the following:
The Benzene,1-bromo-2,4-dimethyl- irritates to eyes, respiratory system and skin. 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: Cc1ccc(Br)c(C)c1
(2)InChI: InChI=1/C8H9Br/c1-6-3-4-8(9)7(2)5-6/h3-5H,1-2H3
(3)InChIKey: YSFLQVNTBBUKEA-UHFFFAOYAW
(4)Std. InChI: InChI=1S/C8H9Br/c1-6-3-4-8(9)7(2)5-6/h3-5H,1-2H3
(5)Std. InChIKey: YSFLQVNTBBUKEA-UHFFFAOYSA-N