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ChemicalBook > Product Catalog >Chemical Reagents >Organic reagents >Aromatic acids >3,5-Bis(trifluoromethyl)benzoic acid

3,5-Bis(trifluoromethyl)benzoic acid

3,5-Bis(trifluoromethyl)benzoic acid Structure
CAS No.
725-89-3
Chemical Name:
3,5-Bis(trifluoromethyl)benzoic acid
Synonyms
3,5-DI(TRIFLUOROMETHYL)BENZOIC ACID;MBT-BOA;RARECHEM AL BO 0001;TIMTEC-BB SBB000963;3,5-Di-(Trifluoromethyl)Benzoi;3,5-Bis(trifluoromethyl)benzoic;3,5-bis(trifluoromethyl)-benzoicaci;BIS(3,5-TRIFLUOROMETHYL)BENZOIC ACID;3,5-BIS(TRIFLUOROMETHYL)BENZOIC ACID;3, 5-Bis (trifluoromrthyl) benzoic acid
CBNumber:
CB0255912
Molecular Formula:
C9H4F6O2
Molecular Weight:
258.12
MOL File:
725-89-3.mol
MSDS File:
SDS
Modify Date:
2024/7/12 9:44:39
Request For Quotation

3,5-Bis(trifluoromethyl)benzoic acid Properties

Melting point 142-143 °C(lit.)
Boiling point 223.9±40.0 °C(Predicted)
Density 1,42 g/cm3
storage temp. Sealed in dry,Room Temperature
solubility DMSO, Methanol
form Solid
pka 3.34±0.10(Predicted)
color White to Off-White
Water Solubility Slightly soluble in water.
BRN 2058600
InChI InChI=1S/C9H4F6O2/c10-8(11,12)5-1-4(7(16)17)2-6(3-5)9(13,14)15/h1-3H,(H,16,17)
InChIKey HVFQJWGYVXKLTE-UHFFFAOYSA-N
SMILES C(O)(=O)C1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1
CAS DataBase Reference 725-89-3(CAS DataBase Reference)
NIST Chemistry Reference 3,5-Bis(trifluoromethyl)benzoic acid(725-89-3)

SAFETY

Risk and Safety Statements

Symbol(GHS) 
GHS07
Signal word  Warning
Hazard statements  H315-H319-H335
Precautionary statements  P261-P264-P271-P280-P302+P352-P305+P351+P338
Hazard Codes  Xi
Risk Statements  36/37/38
Safety Statements  26-36-37/39
WGK Germany  3
RTECS  DG4448020
HazardClass  IRRITANT
HS Code  29163990
NFPA 704
0
2 0

3,5-Bis(trifluoromethyl)benzoic acid price More Price(3)

Manufacturer Product number Product description CAS number Packaging Price Updated Buy
Sigma-Aldrich(India) 232882 3,5-Bis(trifluoromethyl)benzoic acid 98% 725-89-3 5G ₹4243.4 2022-06-14 Buy
Sigma-Aldrich(India) 232882 3,5-Bis(trifluoromethyl)benzoic acid 98% 725-89-3 25G ₹11301.3 2022-06-14 Buy
TCI Chemicals (India) B1420 3,5-Bis(trifluoromethyl)benzoic Acid min. 98.0 % 725-89-3 25G ₹8200 2022-05-26 Buy
Product number Packaging Price Buy
232882 5G ₹4243.4 Buy
232882 25G ₹11301.3 Buy
B1420 25G ₹8200 Buy

3,5-Bis(trifluoromethyl)benzoic acid Chemical Properties,Uses,Production

Chemical Properties

white to light yellow crystal powder

Uses

3,5-Bis(trifluoromethyl)benzoic acid is a useful synthetic intermediate, and is a derivative of Benzoic acid (B203900). 3,5-Bis(trifluoromethyl)benzoic acid has also been identified as a major metabolite of a series of 3,5-bis(trifluoromethyl)benzyl ethers in vitro, and is hypothesized to result via oxidation of the benzylic position.

Application

3,5-bis(trifluoromethyl)benzoic acid is an intermediate in synthesizing pharmaceutical compounds, which are substance P (neurokinin-1) receptor antagonists. In particular, such compounds are substance P (neurokinin-1) receptor antagonists, which are helpful, e.g., in treating inflammatory diseases, psychiatric disorders, and emesis.

General Description

3,5-Bis(trifluoromethyl)benzoic acid is a significant metabolite formed during metabolism of 3,5-bis(trifluoromethyl)benzyl ether via oxidation.

3,5-Bis(trifluoromethyl)benzoic acid Preparation Products And Raw materials

Raw materials

3,5-BIS(TRIFLUOROMETHYL)STYRENE 1,3,5-Tris(trifluoromethyl)benzene 3,5-BIS(TRIFLUOROMETHYL)IODOBENZENE Benzoyl fluoride, 3,5-bis(trifluoromethyl)- 1,3-Bis(trifluoromethyl)-benzene
3,5-Bis(trifluoromethyl)benzoyl chloride carbon monoxide Carbon dioxide 3,5-Bis(trifluoromethyl)bromobenzene
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Preparation Products

3,5-Bis(trifluoromethyl)phenylacetonitrile 3,5-Bis(trifluoromethyl)benzaldehyde 2,4-BIS(TRIFLUOROMETHYL)BENZOIC ACID

3,5-Bis(trifluoromethyl)benzoic acid Suppliers

Global( 372)Suppliers
Supplier Tel Country ProdList Advantage Inquiry
BTC pharm India +918790379245 AndhraPradesh, India 1269 58 Inquiry
CHEMSWORTH +91-261-2397244 New Delhi, India 6707 30 Inquiry
Reax Chemicals 08048372701Ext 416 Hyderabad, India 4223 58 Inquiry
Rensun Pharmaceuticals Pvt Ltd. 91-22-28223755 Maharashtra, India 153 58 Inquiry
Clearsynth Labs 91-22-45045900 Maharashtra, India 3889 58 Inquiry
A.J Chemicals 91-9810153283 New Delhi, India 6124 58 Inquiry
TCI Chemicals (India) Pvt. Ltd. 1800 425 7889 New Delhi, India 6778 58 Inquiry
Shanghai Xinchem Co., Ltd. +86-021-34123252 +8618049800532 China 49 58 Inquiry
Qingdao Yonghefeng Economic and Trade Co., Ltd. +86-13375559818 +86-13375559818 China 195 58 Inquiry
Enki Biopharmaceuticals (Shanghai) Limited +86-0086-2157680326 +8613916707528 China 46 58 Inquiry
Supplier Advantage
BTC pharm India 58
CHEMSWORTH 30
Reax Chemicals 58
Rensun Pharmaceuticals Pvt Ltd. 58
Clearsynth Labs 58
A.J Chemicals 58
TCI Chemicals (India) Pvt. Ltd. 58
Shanghai Xinchem Co., Ltd. 58
Qingdao Yonghefeng Economic and Trade Co., Ltd. 58
Enki Biopharmaceuticals (Shanghai) Limited 58

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3, 5-Bis (trifluoromrthyl) benzoic acid 3,5-BIS(TRIFLUOROMETHYL)BENZOIC ACID, 98 % 3,5-Di-(Trifluoromethyl)Benzoi 3,5-Di(trifluoromethyl)benzoic acid , TECH 3,5-Bis(trifluoroMethyl)benzoic acid, 98% 5GR 3,5-Di(trifluoroMethyl)benzoic acid, 90, TECH 3,5-bis(trifluoromethyl)-benzoicaci 3,5-BIS(TRIFLUOROMETHYL)BENZOIC ACID MBT-BOA BIS(3,5-TRIFLUOROMETHYL)BENZOIC ACID RARECHEM AL BO 0001 TIMTEC-BB SBB000963 Benzoic acid, 3,5-bis(trifluoromethyl)- 3,5-Bis(trifluoromethyl)benzoic 3,5-Bis(trifluoromethyl)benzoic Acid > 3,5-DI(TRIFLUOROMETHYL)BENZOIC ACID 725-89-3 C9H4O2F6 C9H3F6O2 Carboxylic Acids Carbonyl Compounds C9 Building Blocks Organic Building Blocks CARBOXYLIC ACID Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts Benzoic acid Miscellaneous Benzotrifluoride Series Boronic Acid series Fluorobenzene Fluorides C9 Carbonyl Compounds Carboxylic Acids 1