ChemicalBook--->CAS DataBase List--->586-35-6

586-35-6

586-35-6 Structure

586-35-6 Structure
IdentificationMore
[Name]

2-Bromoterephthalic acid
[CAS]

586-35-6
[Synonyms]

2-BROMOTEREPHTHALIC ACID
BROMOTEREPHTHALIC ACID
LABOTEST-BB LT00454996
2-Bromoterephthalicacid,97%
2-bromobenzene-1,4-dicarboxylic acid
2-Bromoterephthalic acid 98+%
2-Bromo-1,4-benzenedicarboxylic acid
[EINECS(EC#)]

209-572-8
[Molecular Formula]

C8H5BrO4
[MDL Number]

MFCD00002403
[Molecular Weight]

245.03
[MOL File]

586-35-6.mol
Chemical PropertiesBack Directory
[Appearance]

white crystalline powder
[Melting point ]

295-297 °C(lit.)
[Boiling point ]

421.6±40.0 °C(Predicted)
[density ]

1.8281 (rough estimate)
[refractive index ]

1.4490 (estimate)
[storage temp. ]

Sealed in dry,Room Temperature
[form ]

powder to crystal
[pka]

2.44±0.10(Predicted)
[color ]

White to Light yellow
[Water Solubility ]

Soluble in water.
[BRN ]

2616163
[InChI]

InChI=1S/C8H5BrO4/c9-6-3-4(7(10)11)1-2-5(6)8(12)13/h1-3H,(H,10,11)(H,12,13)
[InChIKey]

QPBGNSFASPVGTP-UHFFFAOYSA-N
[SMILES]

C1(C(O)=O)=CC=C(C(O)=O)C=C1Br
[CAS DataBase Reference]

586-35-6(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

T,C,Xi
[Risk Statements ]

R25:Toxic if swallowed.
R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S37/39:Wear suitable gloves and eye/face protection .
[RIDADR ]

UN 2811 6.1/PG 3
[WGK Germany ]

3
[Hazard Note ]

Corrosive
[HazardClass ]

6.1
[HS Code ]

29173919
[Storage Class]

6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects
[Hazard Classifications]

Acute Tox. 3 Oral
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Sodium hydroxide-->Hydrochloric acid-->Potassium permanganate-->2,5-Dimethylbromobenzene-->Acetic acid-->3-bromo-4-isopropylbenzoic acid-->Oxygen-->Nitric acid
[Preparation Products]

METHYL 4-FORMYL-3-HYDROXYBENZOATE-->2-(trifluoromethyl)-1,4-Benzenedicarboxylic acid-->2-hydroxyterephthalic acid-->1,4-BENZENEDICARBONYL DICHLORIDE,2-BROMO--->2-PHENYLAMINO-TEREPHTHALIC ACID
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

2-Bromoterephthalic acid(586-35-6).msds
Hazard InformationBack Directory
[Chemical Properties]

white crystalline powder
[Uses]

2-Bromoterephthalic acid is used as a biochemical for proteomics research. It is an important raw material and intermediate used in organic synthesis, pharmaceuticals, dyes and agrochemicals.
[Synthesis]

2,5-Dimethylbromobenzene

553-94-6

2-Bromoterephthalic acid

586-35-6

Example 6: This example describes in detail the synthesis of 2-bromoterephthalic acid using 2-bromo-1,4-dimethylbenzene as starting material. In a stirred autoclave equipped with an internal cooling coil and a reflux condenser, 2-bromo-1,4-dimethylbenzene (541 mmol) was mixed with 2-bromo-1,4-dimethylbenzene (541 mmol) containing cobalt(II) acetate tetrahydrate (0.625 mmol), manganese(II) acetate tetrahydrate (0.625 mmol), zirconium(IV) acetate (0.15 mmol) and sodium bromide (0.525 mmol) in a 500 g of 97% acetic acid solution were mixed. The mixture was stirred at a constant rate using a gas dispersion stirrer to optimize gas mixing, followed by heating the mixture to 150 °C for 2 h and maintaining it for 2 h, and then ramping up to 180 °C for 4 h. The mixture was heated to 150 °C for 2 h and then ramped up to 180 °C for 4 h. During the heating of the reaction, air was continuously vented at a back pressure of 400 psig (2.76 MPa). Upon completion of the reaction, the pressure was slowly released and the reactor was cooled to 50°C. The reaction products were drained and the reactor was rinsed with 50 g of acetic acid in two passes to collect the residual products. The white solid product was collected by diafiltration, washed with water and dried under vacuum, resulting in 113 g (85% yield) of a white solid of 2-bromoterephthalic acid with 99% purity, the structure of which was confirmed by 1H NMR.

[References]

[1] Patent: WO2008/82501, 2008, A1. Location in patent: Page/Page column 16-17
[2] Journal of Medicinal Chemistry, 2012, vol. 55, # 7, p. 3553 - 3557
[3] Journal of Coordination Chemistry, 2012, vol. 65, # 18, p. 3205 - 3215
[4] CrystEngComm, 2016, vol. 18, # 36, p. 6914 - 6925
[5] Patent: WO2015/97276, 2015, A1. Location in patent: Page/Page column 46; 47
Spectrum DetailBack Directory
[Spectrum Detail]

2-Bromoterephthalic acid(586-35-6)MS
2-Bromoterephthalic acid(586-35-6)1HNMR
2-Bromoterephthalic acid(586-35-6)13CNMR
2-Bromoterephthalic acid(586-35-6)IR1
2-Bromoterephthalic acid(586-35-6)IR2
2-Bromoterephthalic acid(586-35-6)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

2-Bromoterephthalic acid, 99%(586-35-6)
[Alfa Aesar]

2-Bromoterephthalic acid, 97%(586-35-6)
[Sigma Aldrich]

586-35-6(sigmaaldrich)
[TCI AMERICA]

Bromoterephthalic Acid,>97.0%(T)(586-35-6)
586-35-6 suppliers list
Company Name: Capot Chemical Co.,Ltd.
Tel: +86-(0)57185586718; +8613336195806 , +8613336195806
Website: http://www.capot.com
Company Name: Shanghai Daken Advanced Materials Co.,Ltd
Tel: +86-2158073036
Website: www.dakenchem.com/
Company Name: ATK CHEMICAL COMPANY LIMITED
Tel: +undefined-21-51877795
Website: www.atkchemical.com
Company Name: Anqing Chico Pharmaceutical Co., Ltd.
Tel: 15380796838
Website: www.chemicalbook.com/ShowSupplierProductsList30721/0_EN.htm
Company Name: career henan chemical co
Tel: +86-0371-86658258 +8613203830695 , +8613203830695
Website: www.coreychem.com/
Company Name: Changzhou Ansciep Chemical Co., Ltd.
Tel: +86 519 86305871
Website: www.chemicalbook.com/ShowSupplierProductsList31173/0_EN.htm
Company Name: Alchem Pharmtech,Inc.
Tel: 8485655694
Website: www.chemicalbook.com/ShowSupplierProductsList454175/0_EN.htm
Company Name: CONIER CHEM AND PHARMA LIMITED
Tel: +8618523575427 , +8618523575427
Website: http://www.conier.com/
Company Name: Shaanxi Dideu Medichem Co. Ltd
Tel: +86-29-87569266 +86-17392581500 , +86-17392581500
Website: https://www.chemicalbook.com/manufacturer/shaanxi-dideu-medichem-220/
Company Name: Fuxin Pharmaceutical
Tel: +86-021-021-50872116 +8613122107989 , +8613122107989
Website: http://www.fuxinpharm.com
Company Name: SIMAGCHEM CORP
Tel: +86-5922680277 +86-13806087780 , +86-13806087780
Website: http://www.simagchem.com/
Company Name: Hefei TNJ Chemical Industry Co.,Ltd.
Tel: +86-0551-65418671 +8618949823763 , +8618949823763
Website: www.tnjchem.com
Company Name: Win-Win chemical CO., Limited
Tel: +86-0086-577-64498589 +86-15355981851 , +86-15355981851
Website: https://www.win-winchemical.com/
Company Name: AFINE CHEMICALS LIMITED
Tel: +86-0571-85134551
Website: www.afinechem.com/index.html
Company Name: Dayang Chem (Hangzhou) Co.,Ltd.
Tel: +86-0571-88938639 +8617705817739 , +8617705817739
Website: www.dycnchem.com/
Company Name: CR Corporation Limited
Tel: +8613062833949 , +8613062833949
Website: http://www.crcorporation.cn/
Company Name: Changzhou Helios Biomedical Science and Technology Co.,LTD.
Tel: +8618961213068 , +8618961213068
Website: www.chemicalbook.com/ShowSupplierProductsList1377618/0_EN.htm
Company Name: changzhou huayang technology co., ltd
Tel: +8615250961469 , +8615250961469
Website: http://www.huayangchem.com/template/eabout.html
Tags:586-35-6 Related Product Information
120-61-6 6422-86-2 77-92-9 58186-27-9 106-51-4 100-21-0 79-94-7 632-79-1 39635-79-5 118-75-2 59-30-3 55896-93-0 13731-82-3 18643-86-2 5411-70-1 586-35-6