3,5-Bis(trifluoromethyl)benzoic acid

Modify Date: 2026-08-02 06:48:55

3,5-Bis(trifluoromethyl)benzoic acid structure	Common Name	3,5-Bis(trifluoromethyl)benzoic acid
	CAS Number	725-89-3	Molecular Weight	258.117
	Density	1.5±0.1 g/cm3	Boiling Point	223.9±40.0 °C at 760 mmHg
	Molecular Formula	C₉H₄F₆O₂	Melting Point	142-143 °C(lit.)
	MSDS	Chinese USA	Flash Point	89.2±27.3 °C
	Symbol	GHS07	Signal Word	Warning

Summary: 3,5-Bis(trifluoromethyl)benzoic acid (CAS number: 725-89-3) is a pale yellow to off-white solid with a molecular formula of C9H4F6O2 and a molecular weight of 258.117. For research-use only, not for medical or clinical usage.

This table lists Chinese names, IUPAC names and various aliases of this chemical substance.

Name	3,5-Bis(trifluoromethyl)benzoic acid
Synonym	More Synonyms

This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.

Density	1.5±0.1 g/cm3
Boiling Point	223.9±40.0 °C at 760 mmHg
Melting Point	142-143 °C(lit.)
Molecular Formula	C₉H₄F₆O₂
Molecular Weight	258.117
Flash Point	89.2±27.3 °C
Exact Mass	258.011536
PSA	37.30000
LogP	4.28
Vapour Pressure	0.1±0.5 mmHg at 25°C
Index of Refraction	1.424
InChIKey	HVFQJWGYVXKLTE-UHFFFAOYSA-N
SMILES	O=C(O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.

3,5-Bis(trifluoromethyl)benzoic acid MSDS(Chinese)

This table summarizes toxicological test data, acute & chronic toxicity and ecological hazard parameters for this chemical.

CHEMICAL IDENTIFICATION

RTECS NUMBER :: DG4448020

CHEMICAL NAME :: Benzoic acid, 3,5-bis(trifluoromethyl)-

CAS REGISTRY NUMBER :: 725-89-3

LAST UPDATED :: 199612

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C9-H4-F6-O2

MOLECULAR WEIGHT :: 258.13

WISWESSER LINE NOTATION :: FXFFR CVQ EXFFF

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 100 mg/kg

TOXIC EFFECTS :: Behavioral - rigidity (including catalepsy) Behavioral - muscle contraction or spasticity

REFERENCE :: JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 11,1020,1968

This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.

Symbol	GHS07
Signal Word	Warning
Hazard Statements	H315-H319-H335
Precautionary Statements	P261-P305 + P351 + P338
Personal Protective Equipment	dust mask type N95 (US);Eyeshields;Gloves
Hazard Codes	Xi:Irritant
Risk Phrases	R36/37/38
Safety Phrases	S26-S36-S37/39
RIDADR	NONH for all modes of transport
WGK Germany	3
RTECS	DG4448020
HS Code	2916399090

This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.

Carbon dioxide

CAS#:124-38-9

3,5-Bis(trifluo...

CAS#:328-70-1

~94%

3,5-Bis(trifluo...

CAS#:725-89-3

Learn More

Literature: Leazer Jr., Johnnie L.; Cvetovich, Raymond; Tsay, Fuh-Rong; Dolling, Ulf; Vickery, Thomas; Bachert, Donald Journal of Organic Chemistry, 2003 , vol. 68, # 9 p. 3695 - 3698

3,5-bis-trifluo...

CAS#:401-96-7

~84%

3,5-Bis(trifluo...

CAS#:725-89-3

Learn More

Literature: MITSUBISHI GAS CHEMICAL COMPANY, INC. Patent: EP1500641 A1, 2005 ; Location in patent: Page 9 ;

Carbon dioxide

CAS#:124-38-9

1,3-Bis(trifluo...

CAS#:402-31-3

~13%

2,4-Bis(trifluo...

CAS#:32890-87-2

3,5-Bis(trifluo...

CAS#:725-89-3

Learn More

Literature: Chemistry - A European Journal, , vol. 4, # 7 p. 1281 - 1286

1,3,5-Tris(trif...

CAS#:729-81-7

~82%

3,5-Bis(trifluo...

CAS#:725-89-3

Learn More

Literature: Kethe, Anila; Tracy, Adam F.; Klumpp, Douglas A. Organic and Biomolecular Chemistry, 2011 , vol. 9, # 12 p. 4545 - 4549

1,3-Bis(trifluo...

CAS#:402-31-3

3,5-Bis(trifluo...

CAS#:725-89-3

Learn More

Literature: Journal of Organic Chemistry, , vol. 68, # 9 p. 3695 - 3698

Carbon dioxide

CAS#:124-38-9

1,3-Bis(trifluo...

CAS#:402-31-3

2,6-Bis(trifluo...

CAS#:24821-22-5

2,4-Bis(trifluo...

CAS#:32890-87-2

Detail Learn More

Literature: Tetrahedron, , vol. 55, # 4 p. 909 - 918

This table lists upstream starting materials and downstream derivative products related to this chemical.

Precursor 5
CAS#:124-38-9 Carbon dioxide CAS#:328-70-1 3,5-Bis(trifluo... CAS#:401-96-7 3,5-bis-trifluo... CAS#:402-31-3 1,3-Bis(trifluo...
CAS#:729-81-7 1,3,5-Tris(trif...
DownStream 9
CAS#:32707-89-4 (3,5-Bis(triflu... CAS#:174083-39-7 3,5-BIS(TRIFLUO... CAS#:402-31-3 1,3-Bis(trifluo... CAS#:401-95-6 3,5-Bis(trifluo...
CAS#:30071-93-3 1-(3,5-Bis(trif... CAS#:85068-33-3 [3,5-Bis(triflu... CAS#:785-56-8 3,5-Bis(trifluo... CAS#:131805-94-2 1-(3,5-Bis(trif...
CAS#:26107-82-4 3,5-bis(trifluo...

This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.

HS Code	2916399090
Summary	2916399090 other aromatic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

This table lists relevant public references with title, journal and publication metadata for this compound.

3-Benzyloxy-2-phenylpiperidine NK₁ antagonists: the influence of alpha methyl substitution. Swain CJ, et al.

Bioorg. Med. Chem. Lett. 7(23) , 2959-62, (1997)

This table contains target information, in‑vitro & in‑vivo assay data for this compound.

Name: Inhibition of Tet-induced Flag-tagged mouse TRPM7 expressed in HEK293 cells assessed ...
Source: ChEMBL
Target: Transient receptor potential cation channel subfamily M member 7
External Id: CHEMBL3734567

Name: Dicer-mediated maturation of pre-microRNA
Source: Center for Chemical Genomics, University of Michigan
Target: N/A
External Id: TargetID_659_CEMA

Name: NCI human tumor cell line growth inhibition assay. Data for the MCF7 Non-Small Cell L...
Source: DTP/NCI
Target: N/A
External Id: MCF7_OneDose

Name: NCI human tumor cell line growth inhibition assay. Data for the IGROV1 Non-Small Cell...
Source: DTP/NCI
Target: N/A
External Id: IGROV1_OneDose

Total 4, Current Page 1 of 1

This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.

einecs 211-970-1

3,5-Di(trifluoromethyl)benzoic acid

3,5-Bis(trifluoromethyl)benzoic acid

MFCD00000388

FXFFR CVQ EXFFF

mbt-boa

3,5-bis(trifluoromethyl)benzoicacid

This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.

Q: What is the SMILES notation of 3,5-Bis(trifluoromethyl)benzoic acid?

A: SMILES notation of 3,5-Bis(trifluoromethyl)benzoic acid is O=C(O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.

Q: What is the InChIKey of 3,5-Bis(trifluoromethyl)benzoic acid?

A: InChIKey of 3,5-Bis(trifluoromethyl)benzoic acid is HVFQJWGYVXKLTE-UHFFFAOYSA-N.

Q: What is the LogP of 3,5-Bis(trifluoromethyl)benzoic acid?

A: LogP of 3,5-Bis(trifluoromethyl)benzoic acid is 4.28.

Q: What English synonyms does 3,5-Bis(trifluoromethyl)benzoic acid have?

A: English synonyms of 3,5-Bis(trifluoromethyl)benzoic acid: einecs 211-970-1, 3,5-Di(trifluoromethyl)benzoic acid, 3,5-Bis(trifluoromethyl)benzoic acid, MFCD00000388, FXFFR CVQ EXFFF, mbt-boa, 3,5-bis(trifluoromethyl)benzoicacid.

Q: What is the melting point of 3,5-Bis(trifluoromethyl)benzoic acid?

A: Melting point of 3,5-Bis(trifluoromethyl)benzoic acid is 142-143 °C(lit.).

Q: What is the polar surface area (PSA) of 3,5-Bis(trifluoromethyl)benzoic acid?

A: Polar surface area (PSA) of 3,5-Bis(trifluoromethyl)benzoic acid is 37.30000.

Q: What is the molecular formula of 3,5-Bis(trifluoromethyl)benzoic acid?

A: Molecular formula of 3,5-Bis(trifluoromethyl)benzoic acid is C9H4F6O2.

Q: What is the molecular weight of 3,5-Bis(trifluoromethyl)benzoic acid?

A: Molecular weight of 3,5-Bis(trifluoromethyl)benzoic acid is 258.117.

Q: What are the downstream products of 3,5-Bis(trifluoromethyl)benzoic acid?

A: Related downstream products(CAS) of 3,5-Bis(trifluoromethyl)benzoic acid: 32707-89-4;174083-39-7;402-31-3;401-95-6;30071-93-3;85068-33-3;785-56-8;131805-94-2;26107-82-4.

Q: What is the English name of 3,5-Bis(trifluoromethyl)benzoic acid?

A: The English name of 3,5-Bis(trifluoromethyl)benzoic acid is 3,5-Bis(trifluoromethyl)benzoic acid.

This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.

Shanghai Nianxing Industrial Co., Ltd

Dayang Chem (Hangzhou) Co., Ltd.

Zhongshan Xingrui Chemical Co. , Ltd.

The content on this webpage is sourced from various professional data sources. If you have any questions or concerns regarding the content, please feel free to contact service1@chemsrc.com.

Shanghai Nianxing Industrial Co., Ltd
China
Product Name: 3,5-Bis(trifluoromethyl)benzoic acid
Price: Check
Purity: 98.0%
Delivery: 10 Day
Contact: Yang
Email: sales@echemcloud.com

Dayang Chem (Hangzhou) Co., Ltd.
China
Product Name: 3,5-Bis(trifluoromethyl)benzoic acid
Price: $Inquiry/100g $Inquiry/1kg $Inquiry/100kg $Inquiry/1000kg
Purity: 98.0%
Delivery: Inquiry
Contact: Ms Wang
Email: enquiry@dycnchem.com

Zhongshan Xingrui Chemical Co. , Ltd.
China
Product Name: 3,5-Bis(trifluoromethyl)benzoic acid
Price: ￥Inquiry/25kg
Purity: 99.0%
Delivery: Inquiry
Contact: Wang Jie
Email: 3096638339@qq.com

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3,5-Bis(trifluoromethyl)benzoic acid

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The content on this webpage is sourced from various professional data sources. If you have any questions or concerns regarding the content, please feel free to contact service1@chemsrc.com.