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
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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)
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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
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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.

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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
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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
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3,5-Bis(trifluoromethyl)benzoic acid Suppliers

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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:

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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
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  • 3,5-BIS(TRIFLUOROMETHYL)BENZOIC ACID
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  • 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