ChemicalBook--->CAS DataBase List--->51760-21-5

51760-21-5

51760-21-5 Structure

51760-21-5 Structure
IdentificationMore
[Name]

DIMETHYL 5-BROMOISOPHTHALATE
[CAS]

51760-21-5
[Synonyms]

5-BROMOISOPHTHALIC ACID DIMETHYL ESTER
DIMETHYL 5-BROMOBENZENE-1,3-DICARBOXYLATE
DIMETHYL 5-BROMOISOPHTHALATE
3-benzenedicarboxylicacid,5-bromo-dimethylester
DIMETHYL 5-BROMOISOPHTHALAT
5-Bromo-1,3-benzenedicarboxylic acid dimethyl ester
[EINECS(EC#)]

257-386-0
[Molecular Formula]

C10H9BrO4
[MDL Number]

MFCD00078709
[Molecular Weight]

273.08
[MOL File]

51760-21-5.mol
Chemical PropertiesBack Directory
[Melting point ]

85-89 °C
[Boiling point ]

150 °C
[density ]

1.505±0.06 g/cm3(Predicted)
[Fp ]

100 °C
[storage temp. ]

Inert atmosphere,Room Temperature
[form ]

powder to crystal
[color ]

White to Orange to Green
[Water Solubility ]

Insoluble in water.
[BRN ]

2375428
[InChI]

InChI=1S/C10H9BrO4/c1-14-9(12)6-3-7(10(13)15-2)5-8(11)4-6/h3-5H,1-2H3
[InChIKey]

QUJINGKSNJNXEB-UHFFFAOYSA-N
[SMILES]

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

51760-21-5(CAS DataBase Reference)
[EPA Substance Registry System]

Dimethyl 5-bromoisophthalate (51760-21-5)
Safety DataBack Directory
[Hazard Codes ]

T,Xi
[Risk Statements ]

R25:Toxic if swallowed.
[Safety Statements ]

S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
[RIDADR ]

UN 2811 6.1/PG 3
[WGK Germany ]

3
[TSCA ]

Yes
[HazardClass ]

IRRITANT
[PackingGroup ]

Ⅲ
[HS Code ]

29173910
Hazard InformationBack Directory
[Chemical Properties]

White to beige to light yellow solid
[Uses]

Dimethyl 5-bromoisophthalate is used as pharmaceutical intermediate.
[Synthesis]

5-BROMOISOPHTHALIC ACID

23351-91-9

DIMETHYL 5-BROMOISOPHTHALATE

51760-21-5

[Preparation of dimethyl 5-bromoisophthalate from 5-bromoisophthalic acid] To a 500 mL three-necked flask equipped with a mechanical stirrer and a Dimroth condenser, 110 g (0.45 mol) of 5-bromoisophthalic acid, 500 mL of anhydrous methanol, and 10 g of concentrated sulfuric acid were added sequentially. The reaction mixture was heated under reflux conditions with stirring for 6 hours. Upon completion of the reaction, the mixture was left to cool to room temperature, followed by slow dropwise addition to 1 L of distilled water. The mixture was centrifuged with 5 wt% aqueous sodium bicarbonate solution to pH 7-8. The precipitated white precipitate was collected by filtration and washed with 2 L of distilled water in two portions. The resulting white solid was placed in a vacuum drying oven and dried under reduced pressure at 50 °C for 48 h to give 109 g (0.4 mol) of dimethyl 5-bromoisophthalate in 89% yield.

[References]

[1] Patent: EP1346975, 2003, A1
[2] Patent: WO2014/20350, 2014, A1
[3] Patent: WO2014/20351, 2014, A1
Spectrum DetailBack Directory
[Spectrum Detail]

DIMETHYL 5-BROMOISOPHTHALATE(51760-21-5)1HNMR
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

Dimethyl 5-bromoisophthalate(51760-21-5)
[Sigma Aldrich]

51760-21-5(sigmaaldrich)
51760-21-5 suppliers list
Company Name: Changzhou Anxuan Chemical, Co., Ltd.  Gold
Telephone: 13912302692
Website: http://www.anxuanchem.com
Company Name: Nanjing Puxin Pharmaceutical Technology Co., Ltd  Gold
Telephone: 17366295326
Website: www.chemicalbook.com/ShowSupplierProductsList187325/0_EN.htm
Company Name: Changzhou Buddy Chemical Technology Co., Ltd.  Gold
Telephone: 18351236123
Website:
Company Name: Quzhou HuntBio Co., Ltd.  Gold
Telephone: 0571-64067827 13372408495
Website: http://www.huntchem.com
Company Name: J & K SCIENTIFIC LTD.  
Telephone: 18210857532 18210857532
Website: https://www.jkchemical.com
Company Name: Alfa Aesar  
Telephone: 400-6106006
Website: http://chemicals.thermofisher.cn
Company Name: TAIYUAN RHF CO.,LTD.  
Telephone: +86 351 7031519
Website: www.rhfchem.com
Company Name: TCI (Shanghai) Development Co., Ltd.  
Telephone: 021-67121386
Website: https://www.tcichemicals.com/CN/zh/
Company Name: Beijing HwrkChemical Technology Co., Ltd  
Telephone: 89508211 18501085097
Website: www.hwrkchemical.com
Company Name: BeiJing Hwrk Chemicals Limted  
Telephone: 0757-86329057 18934348241
Website: www.hwrkchemical.com/
Company Name: Energy Chemical  
Telephone: 400-0056266
Website: www.energy-chemical.com
Company Name: Wuhan Chemwish Technology Co., Ltd  
Telephone: 86-027-67849912
Website: www.chemwish.com
Company Name: Beijing Ouhe Technology Co., Ltd  
Telephone: 13552068683 13522913783
Website: www.ouhetech.cn/
Company Name: Shanghai Sinch Parmaceuticals Tech. Co. Ltd.  
Telephone: +86-21-54098501
Website: www.sinch.com.cn
Company Name: Accela ChemBio Co.,Ltd.  
Telephone: 021-50795510 4000665055
Website: http://www.shao-yuan.com/
Company Name: Shanghai Hanhong Scientific Co.,Ltd.  
Telephone: 021-54306202 13764082696
Website: https://www.hanhongsci.com
Company Name: Shandong Xiya Chemical Co., Ltd  
Telephone: 13355009207 13355009207
Website: http://www.xiyashiji.com
Company Name: Shanghai Ennopharm Co., Ltd.  
Telephone: +86 (21) 6435-5022
Website: www.chemicalbook.com/ShowSupplierProductsList13640/0_EN.htm
Tags:51760-21-5 Related Product Information
20330-90-9 23351-91-9 20986-40-7 20826-04-4 20870-78-4 106120-04-1 33786-90-2 99-27-4 13290-96-5 13036-02-7 127437-29-0 20319-44-2 51760-21-5 1459-93-4 108-86-1 556-96-7 618-89-3