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Name	1-Bromo-2,5-dimethoxybenzene	EINECS	246-756-7
CAS No.	25245-34-5	Density	1.412 g/cm³
PSA	18.46000	LogP	2.46630
Solubility	Insoluble in water.	Melting Point	N/A
Formula	C₈H₉BrO₂	Boiling Point	269.6 °C at 760 mmHg
Molecular Weight	217.062	Flash Point	106 °C
Transport Information	N/A	Appearance	Clear colorless to yellowish liquid
Safety	37/39-26	Risk Codes	36/37/38
Molecular Structure		Hazard Symbols	Xi
Synonyms	2,5-Dimethoxyphenyl bromide;2-Bromo-1,4-dimethoxybenzene;2-Bromo-4-methoxyanisole;NSC 159052;	Article Data	61

1-Bromo-2,5-dimethoxybenzene Synthetic route

: 150-78-7
1,4-dimethoxybezene

: 25245-34-5
1-bromo-2,5-dimethoxybenzene

Conditions

Conditions	Yield
With (CH3)4Br In liquid sulphur dioxide at -23℃; Rate constant;	100%
With (CH3)4Br In liquid sulphur dioxide at -23℃;	100%
With Selectfluor; sodium bromide In acetonitrile at 20℃; for 113h;	100%

: 17332-11-5
2-bromo-4-methoxyphenol

: 74-88-4
methyl iodide

: 25245-34-5
1-bromo-2,5-dimethoxybenzene

Conditions

Conditions	Yield
With potassium carbonate In acetone at 20℃; Inert atmosphere; Cooling with ice;	97.9%

: 17332-11-5
2-bromo-4-methoxyphenol

: 77-78-1
dimethyl sulfate

: 25245-34-5
1-bromo-2,5-dimethoxybenzene

Conditions

Conditions	Yield
Stage #1: 2-bromo-4-methoxyphenol With potassium carbonate In acetone at 20℃; for 0.166667h; Stage #2: dimethyl sulfate In acetone at 20℃; for 12h;	97%

: 583-69-7
2-bromobenzene-1,4-diol

: 74-88-4
methyl iodide

: 25245-34-5
1-bromo-2,5-dimethoxybenzene

Conditions

Conditions	Yield
With sodium hydride	83%

: 107099-99-0
2,5-dimethoxyphenylboronic acid

: 25245-34-5
1-bromo-2,5-dimethoxybenzene

Conditions

Conditions	Yield
With tetrabutylammomium bromide; copper(ll) bromide In water at 100℃; Sealed tube;	78%

: potassium (2,5-dimethoxyphenyl)trifluoroborate

: 25245-34-5
1-bromo-2,5-dimethoxybenzene

Conditions

Conditions	Yield
With tetra-N-butylammonium tribromide In tetrahydrofuran; water at 20℃; for 0.333333h; chemoselective reaction;	72%
With tetra-N-butylammonium tribromide In tetrahydrofuran; water at 20℃; for 0.333333h; chemoselective reaction;	72%

: 583-69-7
2-bromobenzene-1,4-diol

: 77-78-1
dimethyl sulfate

: 25245-34-5
1-bromo-2,5-dimethoxybenzene

Conditions

Conditions	Yield
With alkali

: 150-78-7
1,4-dimethoxybezene

A: 2674-34-2
1,4-dibromo-2,5-dimethoxybenzene

B: 25245-34-5
1-bromo-2,5-dimethoxybenzene

Conditions

Conditions	Yield
With phosphorus pentabromide Erwaermen auf dem Dampfbad;
With hydrogenchloride; potassium nitrate; sodium bromide In diethyl ether; water at 25℃; for 4h; Time;

: 7789-69-7
phosphorus pentabromide

: 150-78-7
1,4-dimethoxybezene

A: 2674-34-2
1,4-dibromo-2,5-dimethoxybenzene

B: 25245-34-5
1-bromo-2,5-dimethoxybenzene

: 150-76-5
4-methoxy-phenol

: 25245-34-5
1-bromo-2,5-dimethoxybenzene

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1.1: N-Bromosuccinimide / acetonitrile / 3 h / 0 - 20 °C 2.1: potassium carbonate / acetone / 0.17 h / 20 °C 2.2: 12 h / 20 °C View Scheme
Multi-step reaction with 2 steps 1: bromine / dichloromethane / 2 h / Cooling with ice 2: potassium carbonate / acetone / 20 °C / Inert atmosphere; Cooling with ice View Scheme

1-Bromo-2,5-dimethoxybenzene Specification

The Benzene,2-bromo-1,4-dimethoxy-, with the CAS registry number 25245-34-5, is also known as 2,5-Dimethoxybromobenzene. It belongs to the product categories of Aromatic Hydrocarbons (substituted) & Derivatives; Benzene derivates; API intermediates; Ethers; Organic Building Blocks; Oxygen Compounds. Its EINECS number is 246-756-7. This chemical's molecular formula is C₈H₉BrO₂ and formula weight is 217.06. What's more, its IUPAC name is 2-bromo-1,4-dimethoxybenzene. Its classification codes are: (1)TSCA Flag P; (2)TSCA Flag S.

Physical properties of Benzene,2-bromo-1,4-dimethoxy- are: (1)ACD/LogP: 2.79; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.79; (4)ACD/BCF (pH 5.5): 77.8; (5)ACD/KOC (pH 5.5): 785.53; (6)#H bond acceptors: 2; (7)#H bond donors: 0; (8)#Freely Rotating Bonds: 2; (9)Polar Surface Area: 18.46 Å²; (10)Index of Refraction: 1.527; (11)Molar Refractivity: 47.3 cm³; (12)Molar Volume: 153.6 cm³; (13)Surface Tension: 34 dyne/cm; (14)Density: 1.412 g/cm³; (15)Flash Point: 106 °C; (16)Enthalpy of Vaporization: 48.73 kJ/mol; (17)Boiling Point: 269.6 °C at 760 mmHg; (18)Vapour Pressure: 0.0119 mmHg at 25°C.

Preparation: this chemical can be prepared by 1,4-dimethoxy-benzene by heating. This reaction will need reagent Br₂ and solvent acetic acid with the reaction time of 1 hour. It is a reaction of bromination. The yield is about 90%.

Uses of Benzene,2-bromo-1,4-dimethoxy-: it can be used to produce 1-bromo-2,5-dimethoxy-4-nitro-benzene at the ambient temperature. It will need reagent cerium ammonium nitrate coated on silica and solvent CH₂Cl₂ with the reaction time of 15 min. The yield is about 87%.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you should wear suitable gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: COC1=CC(=C(C=C1)OC)Br
(2)InChI: InChI=1S/C8H9BrO2/c1-10-6-3-4-8(11-2)7(9)5-6/h3-5H,1-2H3
(3)InChIKey: DWCGNRKFLRLWCJ-UHFFFAOYSA-N

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