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
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)
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
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.
N-Bromosuccinimide Price
- Product number
- 232882
- Product name
- 3,5-Bis(trifluoromethyl)benzoic acid
- Purity
- 98%
- Packaging
- 5g
- Price
- $36.4
- Updated
- 2024/03/01
- Product number
- 232882
- Product name
- 3,5-Bis(trifluoromethyl)benzoic acid
- Purity
- 98%
- Packaging
- 25g
- Price
- $142
- Updated
- 2024/03/01
- Product number
- B1420
- Product name
- 3,5-Bis(trifluoromethyl)benzoic Acid
- Purity
- >98.0%(GC)(T)
- Packaging
- 25g
- Price
- $149
- Updated
- 2024/03/01
- Product number
- A11325
- Product name
- 3,5-Bis(trifluoromethyl)benzoic acid, 98%
- Packaging
- 5g
- Price
- $49.65
- Updated
- 2024/03/01
- Product number
- A11325
- Product name
- 3,5-Bis(trifluoromethyl)benzoic acid, 98%
- Packaging
- 25g
- Price
- $150.65
- Updated
- 2024/03/01
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
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View Lastest Price from 3,5-Bis(trifluoromethyl)benzoic acid manufacturers
- 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
- 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
- Product
- 3,5-Bis(trifluoromethyl)benzoic acid 725-89-3
- Price
- US $0.00-0.00/KG
- Min. Order
- 1KG
- Purity
- 99%
- Supply Ability
- 20 mt
- Release date
- 2024-12-11