3-(Trifluoromethyl)phenol

Modify Date: 2026-07-11 12:22:15

3-(Trifluoromethyl)phenol structure	Common Name	3-(Trifluoromethyl)phenol
	CAS Number	98-17-9	Molecular Weight	162.109
	Density	1.3±0.1 g/cm3	Boiling Point	178.0±0.0 °C at 760 mmHg
	Molecular Formula	C₇H₅F₃O	Melting Point	−2-−1.8 °C(lit.)
	MSDS	Chinese USA	Flash Point	73.9±0.0 °C
	Symbol	GHS07	Signal Word	Warning

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

Name	3-Trifluoromethylphenol
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	1.3±0.1 g/cm3
Boiling Point	178.0±0.0 °C at 760 mmHg
Melting Point	−2-−1.8 °C(lit.)
Molecular Formula	C₇H₅F₃O
Molecular Weight	162.109
Flash Point	73.9±0.0 °C
Exact Mass	162.029251
PSA	20.23000
LogP	2.95
Vapour Pressure	0.7±0.3 mmHg at 25°C
Index of Refraction	1.458
InChIKey	UGEJOEBBMPOJMT-UHFFFAOYSA-N
SMILES	Oc1cccc(C(F)(F)F)c1
Storage condition	2-8°C
Water Solubility	insoluble

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

3-(Trifluoromethyl)phenol MSDS(Chinese)

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

CHEMICAL IDENTIFICATION

RTECS NUMBER :: GP3510000

CHEMICAL NAME :: m-Cresol, alpha,alpha,alpha-trifluoro-

CAS REGISTRY NUMBER :: 98-17-9

LAST UPDATED :: 199710

DATA ITEMS CITED :: 4

MOLECULAR FORMULA :: C7-H5-F3-O

MOLECULAR WEIGHT :: 162.12

WISWESSER LINE NOTATION :: QR CXFFF

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

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

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 57 mg/kg

TOXIC EFFECTS :: Behavioral - somnolence (general depressed activity) Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - other changes

REFERENCE :: JAPMA8 Journal of the American Pharmaceutical Association, Scientific Edition. (Washington, DC) V.29-49, 1940-60. For publisher information, see JPMSAE. Volume(issue)/page/year: 38,570,1949

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	Eyeshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter
Hazard Codes	T:Toxic
Risk Phrases	R24/25;R34;R37/38;R41
Safety Phrases	S26-S39-S45-S36/37/39
WGK Germany	3
RTECS	GP3510000
HS Code	2908199090

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

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

Precursor 9
CAS#:1423-26-3 3-(Trifluoromet... CAS#:70097-64-2 3-benzyloxybenz... CAS#:87199-18-6 3-Hydroxyphenyl... CAS#:129946-88-9 S-(Trifluoromet...
CAS#:1245824-29-6 3-trifluorometh... CAS#:74031-45-1 3-Trifluorometh... CAS#:6294-93-5 4-Chloro-3-(tri... CAS#:98-16-8 3-(Trifluoromet...
CAS#:401-81-0 m-iodobenzotrif...
DownStream 10
CAS#:111141-06-1 5-(trifluoromet... CAS#:111141-02-7 7-(trifluoromet... CAS#:109272-29-9 1-(4-Bromopheno... CAS#:109925-28-2 1,3-DIMETHYL-5-...
CAS#:328-90-5 4-Trifluorometh... CAS#:36701-89-0 2-(3-(Trifluoro... CAS#:77616-34-3 2(3-trifluorome... CAS#:53903-49-4 4-Methoxy-2-(tr...
CAS#:454-82-0 2-Amino-5-(trif... CAS#:349-82-6 (3-TERT-BUTOXYC...

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

HS Code	2908199090
Summary	HS: 2908199090. derivatives of polyphenols or phenol-alcohols containing only halogen substituents and their salts. VAT:17.0%. tax rebate rate:9.0%. supervision conditions:None. MFN tariff:5.5%. general tariff:30.0%

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

Analysis of the association of cobalt(III) chelates with fluorine-containing phenols in supercritical carbon dioxide.

Talanta 146 , 789-94, (2015)

The solubilities of several cobalt(III) chelates (CoL3) with in supercritical carbon dioxide (SC-CO2) were investigated in the presence of fluorine- and trifluoromethyl-substituted phenols (PhOH) usin...

The many roles for fluorine in medicinal chemistry.

J. Med. Chem. 51 , 4359-69, (2008)

Boulton LT, et al.

Org. Process Res. Dev. 6(2) , 138-145, (2002)

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

Name: Binding constant against bovine serum albumin
Source: ChEMBL
Target: Albumin
External Id: CHEMBL810806

Name: Partition coefficient (logP)
Source: ChEMBL
Target: N/A
External Id: CHEMBL635387

Name: Dissociation constant, pKa of the compound
Source: ChEMBL
Target: N/A
External Id: CHEMBL991844

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: Octanol-water partition coefficient, log P of the compound
Source: ChEMBL
Target: N/A
External Id: CHEMBL3256050

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

Name: Oleyl alcohol-water partition coefficient, log P of the compound
Source: ChEMBL
Target: N/A
External Id: CHEMBL3256053

Name: Capacity ratio (log k'w)
Source: ChEMBL
Target: N/A
External Id: CHEMBL633693

Total 8, Current Page 1 of 1

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

3-trifluoromethyl-phenol

3-(Trifluoromethyl)phenol

M-TRIFLUOROMETHYLPHENOL

3-Hydroxybenzotrifluoride

,,-Trifluoro-m-cresol

3-Trifluoromethylpheno

alpha,alpha,alpha-Trifluoro-m-cresol

3-(Trifluoromethyl)phenol[3-Hydroxybenzotrifluoride]

EINECS 202-645-5

5-Trifluoromethylphenol

m-trifluoromethyl-phenol

α,α,α-Trifluoro-m-cresol

m-Hydroxybenzotrifluoride

3-HYDROXYBENZOTRIFLUORID

3-(Trifluormethyl)benzolol

A,A,A-TRIFLUORO-M-CRESOL

PHENOL,3-(TRIFLUOROMETHYL)

3-(TRIFLUOROMETHYL) PHENOL

3-Trifluoromethylphe

MFCD00002299

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

Q: What are the downstream products of 3-Trifluoromethylphenol?

A: Related downstream products(CAS) of 3-Trifluoromethylphenol: 111141-06-1;111141-02-7;109272-29-9;109925-28-2;328-90-5;36701-89-0;77616-34-3;53903-49-4;454-82-0;349-82-6.

Q: What is the polar surface area (PSA) of 3-Trifluoromethylphenol?

A: Polar surface area (PSA) of 3-Trifluoromethylphenol is 20.23000.

Q: What is the safety information for 3-Trifluoromethylphenol?

A: Safety information for 3-Trifluoromethylphenol: S26-S39-S45-S36/37/39.

Q: What is the InChIKey of 3-Trifluoromethylphenol?

A: InChIKey of 3-Trifluoromethylphenol is UGEJOEBBMPOJMT-UHFFFAOYSA-N.

Q: How is the water solubility of 3-Trifluoromethylphenol?

A: Water solubility of 3-Trifluoromethylphenol: insoluble.

Q: What is the molecular weight of 3-Trifluoromethylphenol?

A: Molecular weight of 3-Trifluoromethylphenol is 162.109.

Q: What is the SMILES notation of 3-Trifluoromethylphenol?

A: SMILES notation of 3-Trifluoromethylphenol is Oc1cccc(C(F)(F)F)c1.

Q: What is the molecular formula of 3-Trifluoromethylphenol?

A: Molecular formula of 3-Trifluoromethylphenol is C7H5F3O.

Q: What is the LogP of 3-Trifluoromethylphenol?

A: LogP of 3-Trifluoromethylphenol is 2.95.

Q: What are the storage conditions for 3-Trifluoromethylphenol?

A: Storage conditions for 3-Trifluoromethylphenol: 2-8°C.

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.

Henan Tianfu Chemical 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-(Trifluoromethyl)phenol
Price: Check
Purity: 99.0%
Delivery: 10 Day
Contact: Yang
Email: sales@echemcloud.com

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

Henan Tianfu Chemical Co., Ltd.
China
Product Name: 3-Trifluoromethylphenol
Price: $Inquiry/1kg $Inquiry/25kg $Inquiry/1000kg $Inquiry/10ton
Purity: 99.0%
Delivery: Inquiry
Contact: Anson
Email: info@tianfuchem.com

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

Get all suppliers and price by the below link:

3-(Trifluoromethyl)phenol suppliers

3-(Trifluoromethyl)phenol price

3-(Trifluoromethyl)phenol

Names

Chemical & Physical Properties

MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

Safety Information

Synthetic Route

Precursor & DownStream

Customs

Articles3

3-(Trifluoromethyl)phenolBioassay

Synonyms

3-(Trifluoromethyl)phenol | FAQ

3-(Trifluoromethyl)phenolfactory

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.