3,5-Bis(trifluoromethyl)benzoic acid

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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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

Shanghai Xinchem Co., Ltd.

Product: 3,5-Bis(trifluoromethyl)benzoic acid 725-89-3
Price: US $0.00-0.00/drums
Min. Order: 1drums
Purity: 99%min.
Supply Ability: 10tons
Release date: 2023-10-22

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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

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

Building Blocks

Organic Building Blocks

CARBOXYLIC ACID

Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts

Benzoic acid

Miscellaneous

Benzotrifluoride Series

Boronic Acid series

Fluorobenzene

Fluorides

Carbonyl Compounds

Carboxylic Acids