3-PHENOXYBROMOBENZENE

Name: 3-PHENOXYBROMOBENZENE
Brand: Zhengzhou Whchem

CAS：6876-00-2 | 3-PHENOXYBROMOBENZENE | Whchem

CAS: 6876-00-2

Other Names

1-Bromo-3-phenoxybenzene;3-Bromodiphenyl ether,50 μL/mL in Isooctane;Benzene, 1-bromo-3-phenoxy-;1-Bromo-3-phenoxybenzene, 97+%;3-PHENOXYBROMOBENZENE;3-Phenoxyphenyl bromide;m-Bromodiphenyl ether;m-Bromophenoxybenzene

Molecular Formula

Purity

>97%

Molecular Weight

249.1 g/mol

EINECS

Structure Available Verified Product

English Name	3-PHENOXYBROMOBENZENE
English Synonyms	1-Bromo-3-phenoxybenzene;3-Bromodiphenyl ether,50 μL/mL in Isooctane;Benzene, 1-bromo-3-phenoxy-;1-Bromo-3-phenoxybenzene, 97+%;3-PHENOXYBROMOBENZENE;3-Phenoxyphenyl bromide;m-Bromodiphenyl ether;m-Bromophenoxybenzene
CAS Number	6876-00-2
Molecular Formula	C12H9BrO
Molecular Weight	249.1 g/mol
EINECS Number
Related Categories
Mol File	Download MOL File
Structure Image

Property	Value
Boiling point	200-203℃ (50 Torr)
Density	1.3944 g/cm³ (20℃)
Refractive index	1.6076 (589.3 nm, 20℃)
Flash point	>110℃
Storage condition	Sealed in dry, Room Temperature
Solubility	Soluble in chloroform (slightly), ethyl acetate (slightly), methanol (slightly)
Form	Liquid
Color	Colorless
Henry's Law Constant	2.3×10⁻² mol/(m³Pa) at 25℃, Long et al. (2017)
InChI	InChI=1S/C12H9BrO/c13-10-5-4-8-12(9-10)14-11-6-2-1-3-7-11/h1-9H
InChIKey	AHDAKFFMKLQPTD-UHFFFAOYSA-N
SMILES	Brc1cccc(Oc2ccccc2)c1
EPA Chemical Substance Reference	PBDE 002 (6876-00-2)

3-PHENOXYBROMOBENZENE (CAS 6876-00-2) is a high-purity fine chemical intermediate widely used in organic synthesis, pharmaceutical R&D, agrochemical manufacturing and specialty chemical applications.

As a professional supplier, Zhengzhou Whchem provides 3-PHENOXYBROMOBENZENE with >97% purity, COA, structure confirmation and flexible packaging, available from research quantities to commercial scale with global shipping.

Category	Description (English Translation)
Uses & Synthesis Methods Production Method: Starting Materials: 108-36-1 (1,3-Dibromobenzene) 108-95-2 (Phenol) 6876-00-2 (1-Bromo-3-phenoxybenzene) Example 6: Synthesis of 1-bromo-3-phenoxybenzene (A): A mixture of m-dibromobenzene (3 g, 12.75 mmol), phenol (1 g, 10.6 mmol), copper(I) oxide (152 mg, 1 mmol), and cesium carbonate (3.46 g, 10.6 mmol) was dissolved in 8 mL of N-methylpyrrolidone (NMP). The reaction mixture was heated under microwave irradiation at 195°C for 20 minutes. After completion, the heterogeneous mixture was filtered through a Celite bed, and the residue was washed with ethyl acetate (EtOAc, 1 × 20 mL). The filtrate was diluted with 1 N sodium hydroxide solution (200 mL) and extracted with ethyl acetate (3 × 100 mL). The combined organic phases were dried over anhydrous sodium sulfate (Na₂SO₄), filtered, and concentrated under reduced pressure to give a crude yellow oil. Purification by column chromatography (100% hexane as eluent) afforded 1-bromo-3-phenoxybenzene as a colorless oil (1.4 g, 53% yield). LCMS m/z 250 (M + 1). References: [1] Patent: US2005/234042, 2005, A1. Location in patent: Page/Page column 25-26 [2] Bioorganic and Medicinal Chemistry, 2009, vol. 17, # 16, p. 5900 - 5905 [3] Patent: EP1489077, 2004, A1. Location in patent: Page 31

Category

Description (English Translation)

Uses & Synthesis Methods

Production Method:

Starting Materials:
108-36-1 (1,3-Dibromobenzene)
108-95-2 (Phenol)
6876-00-2 (1-Bromo-3-phenoxybenzene)

Example 6: Synthesis of 1-bromo-3-phenoxybenzene (A): A mixture of m-dibromobenzene (3 g, 12.75 mmol), phenol (1 g, 10.6 mmol), copper(I) oxide (152 mg, 1 mmol), and cesium carbonate (3.46 g, 10.6 mmol) was dissolved in 8 mL of N-methylpyrrolidone (NMP). The reaction mixture was heated under microwave irradiation at 195°C for 20 minutes. After completion, the heterogeneous mixture was filtered through a Celite bed, and the residue was washed with ethyl acetate (EtOAc, 1 × 20 mL). The filtrate was diluted with 1 N sodium hydroxide solution (200 mL) and extracted with ethyl acetate (3 × 100 mL). The combined organic phases were dried over anhydrous sodium sulfate (Na₂SO₄), filtered, and concentrated under reduced pressure to give a crude yellow oil. Purification by column chromatography (100% hexane as eluent) afforded 1-bromo-3-phenoxybenzene as a colorless oil (1.4 g, 53% yield). LCMS m/z 250 (M + 1).

References:
[1] Patent: US2005/234042, 2005, A1. Location in patent: Page/Page column 25-26
[2] Bioorganic and Medicinal Chemistry, 2009, vol. 17, # 16, p. 5900 - 5905
[3] Patent: EP1489077, 2004, A1. Location in patent: Page 31

Category	Value
Hazard Symbol	Xi, N
Hazard Codes (R Phrases)	37/38-41-43-51/53
Safety Codes (S Phrases)	26-36/37/39-61
UN Number	UN 3077 9 / PG III
WGK Germany	3
RTECS Number	CY9040554
Hazard Note	Irritant
HS Code (Customs)	2909303890
Storage Category	10 - Flammable liquids
Hazard Classification	Hazardous to the Aquatic Environment - Long-term Hazard Category 2, Serious Eye Damage Category 1, Dermal Irritation Category 2, Skin Sensitizer Category 1, Specific Target Organ Toxicity - Single Exposure Category 3

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3-PHENOXYBROMOBENZENE

CAS：6876-00-2 | 3-PHENOXYBROMOBENZENE | Whchem

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