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Cas Database

89598-96-9

89598-96-9

Identification

  • Product Name:Boronicacid, B-(3-bromophenyl)-

  • CAS Number: 89598-96-9

  • EINECS:677-281-7

  • Molecular Weight:200.827

  • Molecular Formula: C6H6BBrO2

  • HS Code:29319090

  • Mol File:89598-96-9.mol

Synonyms:Benzeneboronicacid, m-bromo- (6CI,7CI);Boronic acid, (3-bromophenyl)- (9CI);3-Bromobenzeneboronic acid;

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Safety information and MSDS view more

  • Pictogram(s):HarmfulXn,IrritantXi

  • Hazard Codes:Xn,Xi

  • Signal Word:Warning

  • Hazard Statement:H315 Causes skin irritationH319 Causes serious eye irritation H335 May cause respiratory irritation

  • First-aid measures: General adviceConsult a physician. Show this safety data sheet to the doctor in attendance.If inhaled If breathed in, move person into fresh air. If not breathing, give artificial respiration. Consult a physician. In case of skin contact Wash off with soap and plenty of water. Consult a physician. In case of eye contact Rinse thoroughly with plenty of water for at least 15 minutes and consult a physician. If swallowed Never give anything by mouth to an unconscious person. Rinse mouth with water. Consult a physician.

  • Fire-fighting measures: Suitable extinguishing media Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide. Wear self-contained breathing apparatus for firefighting if necessary.

  • Accidental release measures: Use personal protective equipment. Avoid dust formation. Avoid breathing vapours, mist or gas. Ensure adequate ventilation. Evacuate personnel to safe areas. Avoid breathing dust. For personal protection see section 8. Prevent further leakage or spillage if safe to do so. Do not let product enter drains. Discharge into the environment must be avoided. Pick up and arrange disposal. Sweep up and shovel. Keep in suitable, closed containers for disposal.

  • Handling and storage: Avoid contact with skin and eyes. Avoid formation of dust and aerosols. Avoid exposure - obtain special instructions before use.Provide appropriate exhaust ventilation at places where dust is formed. For precautions see section 2.2. Store in cool place. Keep container tightly closed in a dry and well-ventilated place.

  • Exposure controls/personal protection:Occupational Exposure limit valuesBiological limit values Handle in accordance with good industrial hygiene and safety practice. Wash hands before breaks and at the end of workday. Eye/face protection Safety glasses with side-shields conforming to EN166. Use equipment for eye protection tested and approved under appropriate government standards such as NIOSH (US) or EN 166(EU). Skin protection Wear impervious clothing. The type of protective equipment must be selected according to the concentration and amount of the dangerous substance at the specific workplace. Handle with gloves. Gloves must be inspected prior to use. Use proper glove removal technique(without touching glove's outer surface) to avoid skin contact with this product. Dispose of contaminated gloves after use in accordance with applicable laws and good laboratory practices. Wash and dry hands. The selected protective gloves have to satisfy the specifications of EU Directive 89/686/EEC and the standard EN 374 derived from it. Respiratory protection Wear dust mask when handling large quantities. Thermal hazards

Supplier and reference price

  • Manufacture/Brand
  • Product Description
  • Packaging
  • Price
  • Delivery
  • Purchase
  • Manufacture/Brand:Usbiological
  • Product Description:3-Bromophenyl boronic acid
  • Packaging:5g
  • Price:$ 345
  • Delivery:In stock
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  • Manufacture/Brand:TRC
  • Product Description:3-Bromophenylboronic acid
  • Packaging:2.5g
  • Price:$ 65
  • Delivery:In stock
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  • Manufacture/Brand:TCI Chemical
  • Product Description:3-Bromophenylboronic Acid (contains varying amounts of Anhydride)
  • Packaging:25g
  • Price:$ 303
  • Delivery:In stock
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  • Manufacture/Brand:TCI Chemical
  • Product Description:3-Bromophenylboronic Acid (contains varying amounts of Anhydride)
  • Packaging:5g
  • Price:$ 101
  • Delivery:In stock
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  • Manufacture/Brand:TCI Chemical
  • Product Description:3-Bromophenylboronic Acid (contains varying amounts of Anhydride)
  • Packaging:1g
  • Price:$ 35
  • Delivery:In stock
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  • Manufacture/Brand:Synthonix
  • Product Description:3-Bromophenylboronic acid 98%
  • Packaging:5g
  • Price:$ 20
  • Delivery:In stock
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  • Manufacture/Brand:Synthonix
  • Product Description:3-Bromophenylboronic acid 98%
  • Packaging:1g
  • Price:$ 15
  • Delivery:In stock
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  • Manufacture/Brand:SynQuest Laboratories
  • Product Description:3-Bromobenzeneboronic acid
  • Packaging:1 g
  • Price:$ 58
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  • Manufacture/Brand:SynQuest Laboratories
  • Product Description:3-Bromobenzeneboronic acid
  • Packaging:25 g
  • Price:$ 269
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  • Manufacture/Brand:SynQuest Laboratories
  • Product Description:3-Bromobenzeneboronic acid
  • Packaging:5 g
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Relevant articles and documentsAll total 9 Articles be found

Preparation method of monohalogenated phenylboronic acid

-

Paragraph 0088-0090, (2020/09/20)

The invention relates to the technical field of chemical synthesis, and particularly discloses a preparation method of monohalogenated phenylboronic acid. The preparation method comprises the following steps of: by taking dihalogenated benzene as a raw material and a mixture of lithium salt and alkaline ionic liquid as a catalyst, carrying out Grignard exchange with R1MgCl to generate monohalogenated phenyl magnesium chloride, reacting with B (OR) 3 to generate monohalogenated phenyl borate, and hydrolyzing under acidic conditions to obtain monohalogenated phenylboronic acid. The HPLC (High Performance Liquid Chromatography) content of the monohalogenated phenylboronic acid prepared by the method is greater than 99.5%; the total yield of the product is greater than 80%, the contents of monohalogenated phenylboronic acid and phenyldiboronic acid impurities of another halogen are both less than 0.003%, the requirements of modern fine chemical synthesis are completely met, the raw materials are easily available, the operation is simple, the safety is high, and the industrial production of monohalogenated phenylboronic acid is realized.

Condensed fluorene derivative comprising heterocyclic ring

-

Paragraph 0324-0330, (2019/12/25)

The present invention relates to a condensed fluorene derivative comprising a heterocyclic ring and, more particularly, to an intermediate product for manufacturing a heterocyclic ring compound which can show excellent luminance and luminous efficiency when used as an organic light emitting material, while exhibiting excellent element characteristics with a long lifespan.COPYRIGHT KIPO 2020

Effective Utilization of Flow Chemistry: Use of Unstable Intermediates, Inhibition of Side Reactions, and Scale-Up for Boronic Acid Synthesis

Usutani, Hirotsugu,Cork, David G.

, p. 741 - 746 (2018/06/11)

Flow chemistry processes for boronic acid syntheses utilizing lithiation-borylation have been developed. The side reactions in the lithiation step that occur in batch were suppressed, and unstable lithium intermediates were handled safely. Flow technology was applied to several kinds of boronic acid syntheses, and scale-up was successfully conducted to allow kilogram-scale production. Some of the key benefits of flow flash chemistry were utilized, both to avoid side reactions and to enable dianion chemistry that is difficult to perform successfully in batch reactions. The examples showed further perspectives on the utility of flow technologies for process development.

Organic high molecular compound and application thereof

-

Paragraph 0083-0087, (2018/03/26)

The invention discloses an organic high molecular compound and application thereof. The general formula of the compound is shown in the description. The compound is can be applied to an organic electroluminescent device, such as a hole injection layer material, a hole transmission layer material, an electron stopping layer material, a light-emitting layer material and a covering layer material. Compared with the prior art, the organic high molecular compound has the following advantages that (1) the organic high molecular compound disclosed by the invention can be used as the hole injection layer material, the hole transmission layer material, the electron stopping layer material, the light-emitting layer material containing a green phosphorescent or a red fluorescent main body substance and the like and the covering layer material, so that the organic high molecular compound is applied to preparation of the organic electroluminescent device; (2) the driving voltage can be reduced, theluminous efficiency, the brightness, the thermal stability and the color purity are improved and the service life of the device is prolonged; (3) the organic electroluminescent device prepared by adopting the compound disclosed by the invention has the advantages of high efficiency and long service life. The formula is shown in the description.

Metal complex containing carbazoles connected Phenyl-pyridine, it's preparation method and it's applications

-

Paragraph 0026-0027, (2017/04/03)

PURPOSE: A phenyl-pyridine metal complex compound which is connected with carbazole structure is provided to enhance high electroluminescence(EL) intensity at 700-750 nm. CONSTITUTION: A metal complex compound contains a phenylpyridine structure which is connected with carbazole structure of chemical formula 1. In chemical formula 1, M is metal having an atom weight of 40 or more; X-Y is auxiliary ligand; R1 is alkyl of 1-16 carbon atoms or alkyl ether group of 1-16 carbon atoms; and R2 and R3 are F or CF_3 each. A light emitting device contains the metal complex compound. A sensor is manufactured using the light emitting device.

Process route upstream and downstream products

Process route

1-bromo-3-chlorobenzene
108-37-2

1-bromo-3-chlorobenzene

Trimethyl borate
121-43-7,63156-11-6

Trimethyl borate

3-chlorophenylboronic acid
63503-60-6

3-chlorophenylboronic acid

(3-bromophenyl)boronic acid
89598-96-9

(3-bromophenyl)boronic acid

Conditions
Conditions Yield
1-bromo-3-chlorobenzene; With n-butyllithium; In tetrahydrofuran; hexane; at -78 - -70 ℃; for 0.5h; Inert atmosphere;
Trimethyl borate; In tetrahydrofuran; at -70 ℃; for 4h;
With hydrogenchloride; In water; Overall yield = 24.6 g;
Trimethyl borate
121-43-7,63156-11-6

Trimethyl borate

1-Bromo-3-iodobenzene
591-18-4

1-Bromo-3-iodobenzene

(3-bromophenyl)boronic acid
89598-96-9

(3-bromophenyl)boronic acid

Conditions
Conditions Yield
1-Bromo-3-iodobenzene; With n-butyllithium; In tetrahydrofuran; at -78 ℃; for 1.5h; Inert atmosphere;
Trimethyl borate; In tetrahydrofuran; at -78 - 20 ℃;
67.6%
1-Bromo-3-iodobenzene; With n-butyllithium; In tetrahydrofuran; at -78 ℃; for 1.5h; Inert atmosphere;
Trimethyl borate; In tetrahydrofuran; at -78 - 20 ℃; Inert atmosphere;
67.6%
triethyl borate
150-46-9

triethyl borate

1,3-dibromobenzene
108-36-1

1,3-dibromobenzene

(3-bromophenyl)boronic acid
89598-96-9

(3-bromophenyl)boronic acid

Conditions
Conditions Yield
1,3-dibromobenzene; With n-butyllithium; In diethyl ether; acetone; at -75 - 20 ℃; for 0.666667h; Inert atmosphere;
triethyl borate; In diethyl ether; acetone; at -75 ℃; for 12h;
85%
Trimethyl borate
121-43-7,63156-11-6

Trimethyl borate

1,3-dibromobenzene
108-36-1

1,3-dibromobenzene

(3-bromophenyl)boronic acid
89598-96-9

(3-bromophenyl)boronic acid

Conditions
Conditions Yield
1,3-dibromobenzene; With n-butyllithium; In tetrahydrofuran; at -78 ℃; for 0.5h; Inert atmosphere;
Trimethyl borate; In tetrahydrofuran; at 20 ℃; for 3h;
71.9%
hydrogenchloride
7647-01-0,15364-23-5

hydrogenchloride

Trimethyl borate
121-43-7,63156-11-6

Trimethyl borate

1,3-dibromobenzene
108-36-1

1,3-dibromobenzene

(3-bromophenyl)boronic acid
89598-96-9

(3-bromophenyl)boronic acid

Conditions
Conditions Yield
Trimethyl borate; 1,3-dibromobenzene; With n-butyllithium; In tetrahydrofuran; at -78 - 20 ℃;
hydrogenchloride; In tetrahydrofuran;
65%
Trimethyl borate
121-43-7,63156-11-6

Trimethyl borate

1-Bromo-3-iodobenzene
591-18-4

1-Bromo-3-iodobenzene

water
7732-18-5

water

(3-bromophenyl)boronic acid
89598-96-9

(3-bromophenyl)boronic acid

Conditions
Conditions Yield
1-Bromo-3-iodobenzene; With n-butyllithium; In tetrahydrofuran; at -78 ℃; for 1.5h; Inert atmosphere;
Trimethyl borate; In tetrahydrofuran; at -78 - 20 ℃; Inert atmosphere;
water; With hydrogenchloride; In tetrahydrofuran; for 1h; Inert atmosphere;
67.6%
boric acid tributyl ester
688-74-4

boric acid tributyl ester

(3-bromophenyl)boronic acid
89598-96-9

(3-bromophenyl)boronic acid

Conditions
Conditions Yield
With diethyl ether; und anschliessenden Hydrolyse;
Triisopropyl borate
5419-55-6

Triisopropyl borate

1,3-dibromobenzene
108-36-1

1,3-dibromobenzene

(3-bromophenyl)boronic acid
89598-96-9

(3-bromophenyl)boronic acid

Conditions
Conditions Yield
1,3-dibromobenzene; With n-butyllithium; In tetrahydrofuran; hexane; at 0 ℃; for 0.00216667h; Flow reactor; Inert atmosphere;
Triisopropyl borate; In tetrahydrofuran; hexane; at 0 ℃; Flow reactor; Inert atmosphere;
With hydrogenchloride; In water;
91 %Chromat.
methyl(3aRS,4SR,7aRS)-2-benzyl-7-(3-bromophenyl)-4-phenyl-2,3,3a,4,5,7a-hexahydro-1H-isoindole-3a-carboxylate

methyl(3aRS,4SR,7aRS)-2-benzyl-7-(3-bromophenyl)-4-phenyl-2,3,3a,4,5,7a-hexahydro-1H-isoindole-3a-carboxylate

(3-bromophenyl)boronic acid
89598-96-9

(3-bromophenyl)boronic acid

Conditions
Conditions Yield
(3-bromophenyl)boronic acid
89598-96-9

(3-bromophenyl)boronic acid

m-ethoxyphenyl bromide
2655-84-7

m-ethoxyphenyl bromide

Conditions
Conditions Yield
Multi-step reaction with 2 steps
1.1: boron trifluoride diethyl etherate / dichloromethane / 0 - 20 °C / Inert atmosphere
1.2: 0.5 h / 20 °C
2.1: sodium hydride / tert-butyl methyl ether; mineral oil / 0.25 h / 20 °C / Inert atmosphere; Sealed tube
2.2: 1 h / 50 °C / Inert atmosphere; Sealed tube
With boron trifluoride diethyl etherate; sodium hydride; In dichloromethane; tert-butyl methyl ether; mineral oil;

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  • Amadis Chemical Co., Ltd.
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  • Shanghai Upbio Tech Co.,Ltd
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