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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

MDL Number:: MFCD00000388

MOL File:: 725-89-3.mol

MSDS File:: SDS

Last updated:2024-09-04 16:41:41

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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)
EWG's Food Scores	1
FDA UNII	NN52L84T3A
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

Risk Statements

36/37/38

Safety Statements

26-36-37/39

WGK Germany

RTECS

DG4448020

HazardClass

IRRITANT

HS Code

29163990

NFPA 704

	0
2		0

3,5-Bis(trifluoromethyl)benzoic acid price More Price(39)

Manufacturer	Product number	Product description	CAS number	Packaging	Price	Updated	Buy
Sigma-Aldrich	232882	3,5-Bis(trifluoromethyl)benzoic acid 98%	725-89-3	5g	$36.4	2024-03-01	Buy
Sigma-Aldrich	232882	3,5-Bis(trifluoromethyl)benzoic acid 98%	725-89-3	25g	$142	2024-03-01	Buy
TCI Chemical	B1420	3,5-Bis(trifluoromethyl)benzoic Acid >98.0%(GC)(T)	725-89-3	25g	$149	2024-03-01	Buy
Alfa Aesar	A11325	3,5-Bis(trifluoromethyl)benzoic acid, 98%	725-89-3	5g	$49.65	2024-03-01	Buy
Alfa Aesar	A11325	3,5-Bis(trifluoromethyl)benzoic acid, 98%	725-89-3	25g	$150.65	2024-03-01	Buy

Product number	Packaging	Price	Buy
232882	5g	$36.4	Buy
232882	25g	$142	Buy
B1420	25g	$149	Buy
A11325	5g	$49.65	Buy
A11325	25g	$150.65	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.

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 synthesis

Synthesis of 3,5-Bis(trifluoromethyl)benzoic acid from Carbon dioxide and 3,5-Bis(trifluoromethyl)bromobenzene

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( 386)Suppliers

Supplier	Tel	Email	Country	ProdList	Advantage
Shanghai Xinchem Co., Ltd.	+86-021-34123252 +8618049800532	xinchem@xinchem.com	China	49	58
Qingdao Yonghefeng Economic and Trade Co., Ltd.	+86-13375559818 +86-13375559818	cfy69@163.com	China	195	58
Enki Biopharmaceuticals (Shanghai) Limited	+86-0086-2157680326 +8613916707528	yusu@enkibiopharma.com	China	46	58
SHANGHAI KEAN TECHNOLOGY CO., LTD.	+8613817748580	cooperation@kean-chem.com	China	40066	58
Hebei Mojin Biotechnology Co., Ltd	+86 13288715578 +8613288715578	sales@hbmojin.com	China	12840	58
Hebei Mojin Biotechnology Co.,Ltd	+86-15028179902	angelia@hbmojin.com	China	1177	58
Capot Chemical Co.,Ltd.	+86-（0）57185586718 +86-13336195806	sales@capot.com	China	29791	60
Shanghai Daken Advanced Materials Co.,Ltd	+86-371-66670886	info@dakenam.com	China	18779	58
Beijing Cooperate Pharmaceutical Co.,Ltd	010-60279497	sales01@cooperate-pharm.com	CHINA	1803	55
ATK CHEMICAL COMPANY LIMITED	+undefined-21-51877795	ivan@atkchemical.com	China	32957	60

Supplier	Advantage
Shanghai Xinchem Co., Ltd.	58
Qingdao Yonghefeng Economic and Trade Co., Ltd.	58
Enki Biopharmaceuticals (Shanghai) Limited	58
SHANGHAI KEAN TECHNOLOGY CO., LTD.	58
Hebei Mojin Biotechnology Co., Ltd	58
Hebei Mojin Biotechnology Co.,Ltd	58
Capot Chemical Co.,Ltd.	60
Shanghai Daken Advanced Materials Co.,Ltd	58
Beijing Cooperate Pharmaceutical Co.,Ltd	55
ATK CHEMICAL COMPANY LIMITED	60

The specific synthesis method of 3,5-bis(trifluoromethyl)benzoic acid
?3,5-bis(trifluoromethyl)benzoic acid is an intermediate in synthesizing compounds with pharmacological activity.
Jul 12，2024

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

Update time	Product	Price	Min. Order	Purity	Supply Ability	Manufacturer
2024-11-22	3,5-bis(Trifluoromethyl)benzoic acid 725-89-3	US $130.00 / KG	1KG	99%	300MT/year	Speranza Chemical Co., Ltd.
2024-11-21	3,5-Bis(trifluoromethyl)benzoic acid 725-89-3	US $0.00-0.00 / kg	1kg	99.0%HPLC	30000	Enki Biopharmaceuticals (Shanghai) Limited
2024-09-04	3,5-Bis(trifluoromethyl)benzoic acid 725-89-3	US $3.00 / kg	1kg	0.99	10000	Hebei Fengjia New Material Co., Ltd

3,5-bis(Trifluoromethyl)benzoic acid
725-89-3
US $130.00 / KG
99%
Speranza Chemical Co., Ltd.

3,5-Bis(trifluoromethyl)benzoic acid
725-89-3
US $0.00-0.00 / kg
99.0%HPLC
Enki Biopharmaceuticals (Shanghai) Limited

3,5-Bis(trifluoromethyl)benzoic acid
725-89-3
US $3.00 / kg
0.99
Hebei Fengjia New Material Co., Ltd

3,5-Bis(trifluoromethyl)benzoic acid Spectrum

3,5-Bis(trifluoromethyl)benzoic acid(725-89-3)MS 3,5-Bis(trifluoromethyl)benzoic acid(725-89-3)¹HNMR 3,5-Bis(trifluoromethyl)benzoic acid(725-89-3)¹³CNMR 3,5-Bis(trifluoromethyl)benzoic acid(725-89-3)IR1 3,5-Bis(trifluoromethyl)benzoic acid(725-89-3)IR2 3,5-Bis(trifluoromethyl)benzoic acid(725-89-3)Raman

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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