ChemicalBook > CAS DataBase List > 3,5-Bis(trifluoromethyl)benzoic acid

3,5-Bis(trifluoromethyl)benzoic acid

Product Name
3,5-Bis(trifluoromethyl)benzoic acid
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
Formula Weight
258.12
MOL File
725-89-3.mol
More
Less

3,5-Bis(trifluoromethyl)benzoic acid Property

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)
More
Less

Safety

Hazard Codes 
Xi
Risk Statements 
36/37/38
Safety Statements 
26-36-37/39
WGK Germany 
3
RTECS 
DG4448020
HazardClass 
IRRITANT
HS Code 
29163990
More
Less

Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal word
Warning
Hazard statements

H315Causes skin irritation

H319Causes serious eye irritation

H335May cause respiratory irritation

Precautionary statements

P261Avoid breathing dust/fume/gas/mist/vapours/spray.

P264Wash hands thoroughly after handling.

P264Wash skin thouroughly after handling.

P271Use only outdoors or in a well-ventilated area.

P280Wear protective gloves/protective clothing/eye protection/face protection.

P302+P352IF ON SKIN: wash with plenty of soap and water.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

More
Less

N-Bromosuccinimide Price

Sigma-Aldrich
Product number
232882
Product name
3,5-Bis(trifluoromethyl)benzoic acid
Purity
98%
Packaging
5g
Price
$36.4
Updated
2024/03/01
Sigma-Aldrich
Product number
232882
Product name
3,5-Bis(trifluoromethyl)benzoic acid
Purity
98%
Packaging
25g
Price
$142
Updated
2024/03/01
TCI Chemical
Product number
B1420
Product name
3,5-Bis(trifluoromethyl)benzoic Acid
Purity
>98.0%(GC)(T)
Packaging
25g
Price
$149
Updated
2024/03/01
Alfa Aesar
Product number
A11325
Product name
3,5-Bis(trifluoromethyl)benzoic acid, 98%
Packaging
5g
Price
$49.65
Updated
2024/03/01
Alfa Aesar
Product number
A11325
Product name
3,5-Bis(trifluoromethyl)benzoic acid, 98%
Packaging
25g
Price
$150.65
Updated
2024/03/01
More
Less

3,5-Bis(trifluoromethyl)benzoic acid Chemical Properties,Usage,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.

Synthesis Reference(s)

The Journal of Organic Chemistry, 68, p. 3695, 2003 DOI: 10.1021/jo026903n

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

Preparation Products

3,5-Bis(trifluoromethyl)phenylacetonitrile
More
Less

3,5-Bis(trifluoromethyl)benzoic acid Suppliers

Americas 1 Belgium 2 Canada 1 China 283 Europe 4 France 2 Germany 5 India 8 Italy 1 Japan 6 Jordan 1 Slovakia 1 Switzerland 2 Ukraine 2 United Kingdom 24 United States 43 Global 386
TCI Europe
Tel
320-37350700
Fax
+32 (0)37350701
Email
sales@tcieurope.eu
Country
Europe
ProdList
23671
Advantage
75
Nantong Chem-Tech.(Group) Co., Ltd
Tel
--
Fax
--
Email
ni.trade@pub.nt.jsinfo.net
Country
Europe
ProdList
1811
Advantage
56
ecochem international chemical broker
Tel
--
Fax
--
Email
export@ecochem.dk
Country
Europe
ProdList
6371
Advantage
66
kemikalieimport
Tel
--
Fax
--
Email
Sales@kemikalieimport.dk
Country
Europe
ProdList
6685
Advantage
47
More
Less

View Lastest Price from 3,5-Bis(trifluoromethyl)benzoic acid manufacturers

Speranza Chemical Co., Ltd.
Product
3,5-bis(Trifluoromethyl)benzoic acid 725-89-3
Price
US $130.00/KG
Min. Order
1KG
Purity
99%
Supply Ability
300MT/year
Release date
2019-12-24
Enki Biopharmaceuticals (Shanghai) Limited
Product
3,5-Bis(trifluoromethyl)benzoic acid 725-89-3
Price
US $0.00-0.00/kg
Min. Order
1kg
Purity
99.0%HPLC
Supply Ability
30000
Release date
2024-01-22
Hebei Fengjia New Material Co., Ltd
Product
3,5-Bis(trifluoromethyl)benzoic acid 725-89-3
Price
US $3.00/kg
Min. Order
1kg
Purity
0.99
Supply Ability
10000
Release date
2024-09-04

725-89-3, 3,5-Bis(trifluoromethyl)benzoic acidRelated Search:

o-Toluic acid 4-(Trifluoromethyl)benzoic acid Folic acid p-Toluic acid 3-(Trifluoromethyl)benzaldehyde Ethyl 2-(Chlorosulfonyl)acetate Methyl 4-(bromomethyl)benzoate Methyl 4-methylbenzoate m-Toluic acid (Trifluoromethyl)trimethylsilane 3-(Trifluoromethyl)benzoic acid 2-Amino-5-bromobenzotrifluoride 3,5-Bis(trifluoromethyl)bromobenzene 3,5-Bis(trifluoromethyl)benzoyl chloride Ascoric Acid 3,5-Bis(trifluoromethyl)benzoic acid ethyl ester 2,5-BIS(TRIFLUOROMETHYL)BENZOIC ACID,2,5-Bis(trifluoromethyl)benzoic acid 98%,2,5-BIS(TRIFLUOROMETHYL)BENZOIC ACID, 98 % 2,6-BIS(TRIFLUOROMETHYL)BENZOIC ACID, 98 %,2,6-Bis(trifluoromethyl)benzoic acid 98%,2,6-BIS(TRIFLUOROMETHYL)BENZOIC ACID

  • 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
  • 3,5-DI(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 Acid &gt
  • 3,5-Bis(trifluoromethyl)benzoic
  • 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