ChemicalBook--->CAS DataBase List--->691877-03-9

691877-03-9

691877-03-9 Structure

691877-03-9 Structure
IdentificationBack Directory
[Name]

3-Bromo-5-cyanobenzotrifluoride
[CAS]

691877-03-9
[Synonyms]

3-Bromo-5-cyanobenzotrifluoride
3-Bromo-5-(trifluoromethyl)benzonitrile
3-bromo-3-(trifluoromethyl)benzonitrile
Benzonitrile, 3-bromo-5-(trifluoromethyl)-
3-Bromo-5-(trifluoromethyl)benzonitrile98%
3-Bromo-5-cyanobenzotrifluoride, 5-Bromo-alpha,alpha,alpha-trifluoro-m-tolunitrile
[Molecular Formula]

C8H3BrF3N
[MDL Number]

MFCD09800708
[MOL File]

691877-03-9.mol
[Molecular Weight]

250.02
Chemical PropertiesBack Directory
[Boiling point ]

216.0±35.0 °C(Predicted)
[density ]

1.71±0.1 g/cm3(Predicted)
[storage temp. ]

Keep in dark place,Sealed in dry,Room Temperature
[solubility ]

Chloroform (Slightly), Ethyl Acetate (Slightly)
[form ]

Oil
[color ]

Colourless
[InChI]

InChI=1S/C8H3BrF3N/c9-7-2-5(4-13)1-6(3-7)8(10,11)12/h1-3H
[InChIKey]

KZFVJLGAVFCPAZ-UHFFFAOYSA-N
[SMILES]

C(#N)C1=CC(C(F)(F)F)=CC(Br)=C1
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319
[Precautionary statements ]

P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
[Hazard Codes ]

Xi,Xn
[Risk Statements ]

22-36
[Safety Statements ]

26
[HS Code ]

2926907090
Hazard InformationBack Directory
[Chemical Properties]

colorless to light yellow liquid
[Synthesis]

3-bromo-5-(trifluoromethyl)benzamide

1007578-83-7

3-Bromo-5-cyanobenzotrifluoride

691877-03-9

General procedure for the synthesis of 3-bromo-5-trifluoromethylbenzonitrile from 3-bromo-5-(trifluoromethyl)benzamide: 3-bromo-5-(trifluoromethyl)benzamide (420 mg, 1.56 mmol) and 2,4,6-trichloro-1,3,5-triazine (437 mg, 2.35 mmol) were dissolved in N,N-dimethylformamide (DMF, 4 mL). The reaction was stirred at room temperature overnight. A white precipitate was observed during the reaction. Upon completion of the reaction, water (10 mL) was added to the mixture and extracted with ethyl acetate (EA, 20 mL × 2). The organic phases were combined, washed with saturated saline (30 mL), dried over anhydrous sodium sulfate (Na2SO4), filtered and concentrated under reduced pressure to afford the target compound 3-bromo-5-trifluoromethylbenzonitrile (330 mg, 84% yield) as a brown oil. Its nuclear magnetic resonance hydrogen spectrum (1H NMR, 400 MHz, CDCl3) data were as follows: δ 7.99 (s, 1H), 7.98 (s, 1H), 7.85 (s, 1H).

[References]

[1] Patent: WO2014/206344, 2014, A1. Location in patent: Page/Page column 75; 76
Spectrum DetailBack Directory
[Spectrum Detail]

3-Bromo-5-cyanobenzotrifluoride(691877-03-9)1HNMR
691877-03-9 suppliers list
Company Name: Shanghai Harvest Chemical Industrial Co., Ltd.  Gold
Telephone: 15721252604 17321035817
Website: www.harvest-chem.com/
Company Name: J & K SCIENTIFIC LTD.  
Telephone: 18210857532 18210857532
Website: https://www.jkchemical.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: Shijiazhuang Sdyano Fine Chemical Co., Ltd.  
Telephone: 0311-89250318 13582355795
Website: www.sdynchem.com
Company Name: Wuhan Chemwish Technology Co., Ltd  
Telephone: 86-027-67849912
Website: www.chemwish.com
Company Name: Capot Chemical Co., Ltd  
Telephone: +86 (0) 571 85 58 67 18
Website: www.capotchem.com
Company Name: JinYan Chemicals(ShangHai) Co.,Ltd.  
Telephone: 13817811078
Website: www.jingyan-chemical.com
Company Name: Shanghai Sinch Parmaceuticals Tech. Co. Ltd.  
Telephone: +86-21-54098501
Website: www.sinch.com.cn
Company Name: Jia Xing Isenchem Co.,Ltd  
Telephone: 0573-85285100 18627885956
Website: https://www.chemicalbook.com/ShowSupplierProductsList14265/0_EN.htm
Company Name: Adamas Reagent, Ltd.  
Telephone: 4006009262 13023226327
Website: www.tansoole.com
Company Name: Accela ChemBio Co.,Ltd.  
Telephone: 021-50795510 4000665055
Website: http://www.shao-yuan.com/
Company Name: Shandong Xiya Chemical Co., Ltd  
Telephone: 13355009207 13355009207
Website: http://www.xiyashiji.com
Company Name: Shanghai Sphchem Co., Ltd.  
Telephone: 021-56491756 13512199871
Website: http://www.panhongchem.com
Company Name: Tianjin Jinyuda Chemical Co., Ltd.  
Telephone: 022-58013646 13011382049
Website: http://www.jinyudachem.com
Company Name: Suzhou Sibian Chemical Technology Co.,Ltd.   
Telephone: 0512-65617459 18915409046
Website: www.sibian-chem.com
Company Name: Shanghai Jian Chao Chemical Technology Co., Ltd.  
Telephone: 150-2103-5486 18017383231
Website:
Company Name: Shanghai potentpharm CO.,Ltd  
Telephone: 13524892556
Website: http://www.potentpharm.com
Tags:691877-03-9 Related Product Information
261952-03-8 186590-36-3 177476-75-4 871571-28-7 193090-61-8 1261810-77-8 62584-24-1 28177-74-4 53312-76-8 1803833-51-3 1243281-23-3 1227516-56-4 731002-48-5