ChemicalBook--->CAS DataBase List--->454-92-2

454-92-2

Request For Quotation

Directory

Identification

Chemical Properties

Safety Data

Raw materials And Preparation Products

Material Safety Data Sheet(MSDS)

Hazard Information

Spectrum Detail

Well-known Reagent Company Product Information

suppliers list

454-92-2 Structure

Identification	More
[Name] 3-(Trifluoromethyl)benzoic acid
[CAS] 454-92-2
[Synonyms] 3-CARBOXYBENZOTRIFLUORIDE 3-(TRIFLUOROMETHYL)BENZOIC ACID A,A,A-TRIFLUORO-M-TOLUIC ACID ALPHA,ALPHA,ALPHA-TRIFLUORO-M-TOLUIC ACID M-CARBOXYBENZOTRIFLUORIDE MTF-BOA M-TRIFLUOROMETHYLBENZOIC ACID RARECHEM AL BO 0047 TIMTEC-BB SBB003661 ,,-Trifluoro-m-toluicacid Benzoic acid, 3-(trifluoromethyl)- Benzoic acid, trifluoromethyl- m-Toluic acid, alpha,alpha,alpha-trifluoro- m-Trifluorometylbenzoic acid 3-Trifluoromethybenzoic Acid 3-Trifluoromethylbenzoic à,à,à-trifluoro-m-toluic acid 3-(Trifluoromethyl)benzoic acid 98% 3-(Trifluoromethyl)benzoicacid98% 3-trifluoromethylbenzoate
[EINECS(EC#)] 207-230-2
[Molecular Formula] C8H5F3O2
[MDL Number] MFCD00002519
[Molecular Weight] 190.12
[MOL File] 454-92-2.mol

Chemical Properties	Back Directory
[Appearance] White to light yellow crystal powde
[Melting point ] 104-106 °C(lit.)
[Boiling point ] 238.5 °C775 mm Hg(lit.)
[density ] 1.3173 (estimate)
[Fp ] 237-240°C
[storage temp. ] Keep in dark place,Sealed in dry,Room Temperature
[form ] powder to crystal
[pka] 3.77±0.10(Predicted)
[color ] White
[BRN ] 2049239
[InChI] InChI=1S/C8H5F3O2/c9-8(10,11)6-3-1-2-5(4-6)7(12)13/h1-4H,(H,12,13)
[InChIKey] FQXQBFUUVCDIRK-UHFFFAOYSA-N
[SMILES] C(O)(=O)C1=CC=CC(C(F)(F)F)=C1
[CAS DataBase Reference] 454-92-2(CAS DataBase Reference)
[NIST Chemistry Reference] 3-(Trifluoromethyl)benzoic acid(454-92-2)
[EPA Substance Registry System] Benzoic acid, 3-(trifluoromethyl)- (454-92-2)

Safety Data	Back Directory
[Symbol(GHS) ] GHS07
[Signal word ] Warning
[Hazard statements ] H315-H319-H335
[Precautionary statements ] P261-P280a-P304+P340-P305+P351+P338-P405-P501a
[Hazard Codes ] Xi
[Risk Statements ] 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 . S24/25:Avoid contact with skin and eyes .
[WGK Germany ] 3
[Hazard Note ] Irritant
[TSCA ] TSCA listed
[HazardClass ] IRRITANT
[HS Code ] 29163900
[Storage Class] 11 - Combustible Solids

Raw materials And Preparation Products	Back Directory
[Preparation Products] 3-METHYL-4-[3-(TRIFLUOROMETHYL)PHENYL]-5-ISOXAZOLAMINE-->3-FLUORO-5-(TRIFLUOROMETHYL)BENZALDEHYDE-->3-(TRIFLUOROMETHYL)PHENETHYLAMINE-->3-(Trifluoromethyl)benzoyl chloride-->3-OXO-3-(3-TRIFLUOROMETHYLPHENYL)PROPIONIC ACID ETHYL ESTER-->METHYL 3-(TRIFLUOROMETHYL)PHENYLACETATE-->3'-(TRIFLUOROMETHYL)PROPIOPHENONE-->1-Pentanone, 1-[3-(trifluoromethyl)phenyl]-

Material Safety Data Sheet(MSDS)	Back Directory
[msds information] 3-(Trifluoromethyl)benzoic acid(454-92-2).msds

Hazard Information	Back Directory
[Chemical Properties] White to light yellow crystal powde
[Uses] pKa values of 3-(trifluoromethyl)benzoic acid in water and in methanol has been measured. Solubility of 3-(trifluoromethyl)benzoic acid in dense carbon dioxide was evaluated to investigate the influence of fluorination on the solubility of organic pharmaceuticals in dense carbon dioxide.
[Definition] ChEBI: A benzoic acid carrying a trifluoromethyl substituent at the 3-position.
[General Description] pKa values of 3-(trifluoromethyl)benzoic acid in water and in methanol has been measured. Solubility of 3-(trifluoromethyl)benzoic acid in dense carbon dioxide was evaluated to investigate the influence of fluorination on the solubility of organic pharmaceuticals in dense carbon dioxide.
[Synthesis] In a 250 ml three-necked flask, add 100 g of m-(trifluoromethyl)benzyl chloride, 0.5 g of initiator azodiisoheptanenitrile, warm up to 70°C, start to pass dry chlorine gas, control the temperature of chlorine pass to keep between 70-75°C, wait until th

Spectrum Detail	Back Directory
[Spectrum Detail] 3-(Trifluoromethyl)benzoic acid(454-92-2)MS 3-(Trifluoromethyl)benzoic acid(454-92-2)¹HNMR 3-(Trifluoromethyl)benzoic acid(454-92-2)¹³CNMR 3-(Trifluoromethyl)benzoic acid(454-92-2)IR1 3-(Trifluoromethyl)benzoic acid(454-92-2)IR2 3-(Trifluoromethyl)benzoic acid(454-92-2)Raman

Well-known Reagent Company Product Information	Back Directory
[Acros Organics] alpha,alpha,alpha-Trifluoro-m-toluic acid, 99%(454-92-2)
[Alfa Aesar] 3-(Trifluoromethyl)benzoic acid, 98+%(454-92-2)
[Sigma Aldrich] 454-92-2(sigmaaldrich)
[TCI AMERICA] 3-(Trifluoromethyl)benzoic Acid,>98.0%(GC)(T)(454-92-2)

454-92-2 suppliers list

Company Name:	Shandong Vantage Specialty Chemicals Biotechnology Co., Ltd. Gold
Telephone:	13396369453 18678026865
Website:	fantaichem.webd.testwebsite.cn

Company Name:	J & K SCIENTIFIC LTD.
Telephone:	18210857532 18210857532
Website:	https://www.jkchemical.com

Company Name:	Meryer (Shanghai) Chemical Technology Co., Ltd.
Telephone:	4006356688 18621169109
Website:	www.x-labseek.com/

Company Name:	3B Pharmachem (Wuhan) International Co.,Ltd.
Telephone:	18930552037
Website:	www.chemicalbook.com/showsupplierproductslist13285/0_en.htm

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 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:	Capot Chemical Co., Ltd
Telephone:	+86 (0) 571 85 58 67 18
Website:	www.capotchem.com

Company Name:	Beijing Ouhe Technology Co., Ltd
Telephone:	13552068683 13522913783
Website:	www.ouhetech.cn/

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:	Accela ChemBio Co.,Ltd.
Telephone:	021-50795510 4000665055
Website:	http://www.shao-yuan.com/

Company Name:	Shanghai Longsheng chemical Co.,Ltd.
Telephone:	58099637 13585536065
Website:	www.shlshg.com

Company Name:	Shanghai Harvest Chemical Industrial Co., Ltd.
Telephone:	15721252604 17321035817
Website:	www.harvest-chem.com/

Tags:454-92-2 Related Product Information

99-04-7 118-90-1 1642-81-5 56-91-7 57-11-4 59-30-3 55896-93-0 6232-88-8 99-94-5 86270-03-3 349-75-7 77-92-9 1077-28-7 98-17-9 705-29-3 2338-76-3 779-89-5 725-89-3

454-92-2

Login

Fast registration