ChemicalBook CAS DataBase List 104-92-7

104-92-7

Name	4-Bromoanisole
CAS	104-92-7
EINECS(EC#)	203-252-1
Molecular Formula	C7H7BrO
MDL Number	MFCD00000097
Molecular Weight	187.03
MOL File	104-92-7.mol

Chemical Properties

Appearance	colourless liquid
Melting point	9-10 °C (lit.)
Boiling point	223 °C (lit.)
density	1.494 g/mL at 25 °C(lit.)
refractive index	n20/D 1.564(lit.)
Fp	202 °F
storage temp.	Store below +30°C.
solubility	Chloroform (Sparingly), Ethyl Acetate (Slightly)
form	Liquid
color	Clear colorless to slightly yellow
Stability:	Stable. Combustible. Incompatible with strong oxidizing agents.
Water Solubility	immiscible
Merck	14,1427
BRN	1237590
Henry's Law Constant	1.1×10^-2 mol/(m³Pa) at 25℃, Pfeifer et al. (2001)
Dielectric constant	7.4000000000000004
InChI	1S/C7H7BrO/c1-9-7-4-2-6(8)3-5-7/h2-5H,1H3
InChIKey	QJPJQTDYNZXKQF-UHFFFAOYSA-N
SMILES	COc1ccc(Br)cc1
CAS DataBase Reference	104-92-7(CAS DataBase Reference)
NIST Chemistry Reference	Benzene, 1-bromo-4-methoxy-(104-92-7)
EPA Substance Registry System	104-92-7(EPA Substance)

Safety Data

Symbol(GHS)	GHS07
Signal word	Warning
Hazard statements	H302-H315
Precautionary statements	P264-P270-P280-P301+P312-P302+P352-P332+P313
Hazard Codes	Xn
Safety Statements	S23:Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer) . S24/25:Avoid contact with skin and eyes . less more
WGK Germany	2
RTECS	BZ8501000
F	8
TSCA	Yes
REACH Registrations	Active
HS Code	29093038
Storage Class	10 - Combustible liquids
Hazard Classifications	Acute Tox. 4 Oral Skin Irrit. 2
Toxicity	LD50 orl-mus: 2200 mg/kg GISAAA 44(12),19,79 less more

Raw materials And Preparation Products

Hazard Information

Chemical Properties

colourless liquid

Uses

4-Bromoanisole finds application as an intermediate in synthetic chemistry. It is used in the preparation of aryl 1,3-diketones and ethyl 4-methoxycinnamate. It is a used as a brominating reagent. Further, it is used in Suzuki coupling reaction with phenylboronic acid as well as in Heck reaction.

Definition

ChEBI: A monomethoxybenzene carrying a bromo substituent at position 4.

Preparation

4-Bromoanisole is obtained by reacting p-bromophenol with dimethyl sulfate.

Biological Functions

4-Bromoanisole is compound sometimes used in RNA extraction which serves to further eliminate DNA contamination. It interacts with genomic DNA(gDNA) and through a separation phase, it will be located in the organic layer instead of the aqueous layer (upper layer) containing the RNA extract.

Synthesis Reference(s)

Tetrahedron Letters, 35, p. 7429, 1994 DOI: 10.1016/0040-4039(94)85333-9
Synthesis, p. 868, 1986 DOI: 10.1055/s-1986-31813

General Description

4-Bromoanisole is a useful brominating reagent. It is formed as reaction product in the reaction between HOBr and anisole. Suzuki coupling of 4-bromoanisole with phenylboronic acid catalyzed by palladium pincer complexes has been studied. Heck Reaction of 4-bromoanisole with ethyl acrylates in room-temperature ionic liquids is reported to afford ethyl 4-methoxycinnamate.

Safety Profile

Moderately toxic by ingestion andintraperitoneal routes. When heated to decomposition itemits toxic vapors of Br^-.

Purification Methods

Crystallise the anisole by repeated partial freezing, then distil it under reduced pressure. [Beilstein 6 III 741, 6 IV 1044.]

Material Safety Data Sheet(MSDS)

Spectrum Detail

Well-known Reagent Company Product Information

Supplier

Sanmenxia Aoke Chemical Industry Co., Ltd.

Telephone0398-3711988 13525866741

Websitehttp://www.aokeby.com/

yxinchem

Telephone+86-0710-4323688 +86-18071785587

Websitehttp://www.yxinchem.com

Tongling LishidaChem Technology Co., Ltd

Telephone19064063435 18606623089

Websitehttp://www.lishidachem.cn

Dexin chemical (Shandong) Co. , Ltd.

Telephone 18815338815

Websitehttps://www.chemicalbook.com/supplier/138604678/

Yancheng Creator Chemical Co., Ltd.

Telephone0515-83072966 13016507129

Websitehttp://www.jssdchem.com

Yancheng Longshen Chemical Co.,Ltd.

Telephone0515-88718898 18352070236

Websitehttps://www.longshenchem.com/

Shanghai Qiji Yongying Biotechnology Co., Ltd.

Telephone 13069481218

Website

Meryer (Shanghai) Chemical Technology Co., Ltd.

Telephone4006356688 18621169109

Websitehttp://www.x-labseek.com/

Alfa Aesar

Telephone400-6106006

Websitehttp://chemicals.thermofisher.cn

TCI (Shanghai) Development Co., Ltd.

Telephone021-67121386

Websitehttps://www.tcichemicals.com/CN/zh/

ShangHai DEMO Chemical Co.,Ltd

Telephone400-021-7337 2355568890

Websitehttp://www.demochem.com

Beijing dtftchem Technology Co., Ltd.

Telephone010-60275820 13031183356

Websitehttp://www.dtfchem.com

Energy Chemical

Telephone 400-0056266

Websitehttp://www.energy-chemical.com

Capot Chemical Co., Ltd

Telephone+86 (0) 571 85 58 67 18

Websitehttp://www.capotchem.com/

JinYan Chemicals(ShangHai) Co.,Ltd.

Telephone13817811078

Websitehttp://www.jingyan-chemical.com/

Jia Xing Isenchem Co.,Ltd

Telephone0573-85285100 18627885956

Websitehttps://www.chemicalbook.com/ShowSupplierProductsList14265/0_EN.htm

Shanghai Hanhong Scientific Co.,Ltd.

Telephone021-54306202 13764082696

Websitehttps://www.hanhongsci.com

Shandong Xiya Chemical Co., Ltd

Telephone13355009207 13355009207

Websitehttp://www.xiyashiji.com

1of4

Related Products

Send Inquriy