CAS 98-17-9|3-(Trifluoromethyl)phenol

Introduction：Basic information about CAS 98-17-9|3-(Trifluoromethyl)phenol, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. Chemical & Physical Properties
3. Toxicological Information
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
4. Safety Information
5. Customs
6. Articles3
7. Synonyms

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	ChineseUSA	Flash Point	73.9±0.0 °C
Symbol	GHS07	Signal Word	Warning

Names

Name	3-Trifluoromethylphenol
Synonym	More Synonyms

Chemical & Physical Properties

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

Toxicological Information

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

Safety Information

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

Customs

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%

Articles3

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)

Synonyms

3-trifluoromethyl-phenol

3-(Trifluoromethyl)phenol

M-TRIFLUOROMETHYLPHENOL

Phenol, 3- (trifluoromethyl)-

3-Hydroxybenzotrifluoride

,,-Trifluoro-m-cresol

3-Trifluoromethylpheno

alpha,alpha,alpha-Trifluoro-m-cresol

3-(Trifluoromethyl)phenol[3-Hydroxybenzotrifluoride]

EINECS 202-645-5

Phenol, m-trifluoromethyl-

5-Trifluoromethylphenol

m-trifluoromethyl-phenol

α,α,α-Trifluoro-m-cresol

m-Hydroxybenzotrifluoride

3-HYDROXYBENZOTRIFLUORID

3-(Trifluormethyl)benzolol

m-Cresol, α,α,α-trifluoro-

Phenol, 3-(trifluoromethyl)-

A,A,A-TRIFLUORO-M-CRESOL

PHENOL,3-(TRIFLUOROMETHYL)

3-(TRIFLUOROMETHYL) PHENOL

3-Trifluoromethylphe

MFCD00002299

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