ChemicalBook--->CAS DataBase List--->98-17-9

98-17-9

98-17-9 Structure

98-17-9 Structure
IdentificationMore
[Name]

3-Trifluoromethylphenol
[CAS]

98-17-9
[Synonyms]

3-HYDROXY-ALPHA,ALPHA,ALPHA-TRIFLUOROTOLUENE
3-HYDROXYBENZOTRIFLUORIDE
3-(TRIFLUOROMETHYL)PHENOL
A,A,A-TRIFLUORO-M-CRESOL
ALPHA,ALPHA,ALPHA-TRIFLUORO-M-CRESOL
M-HYDROXYBENZOTRIFLUORIDE
M-TRIFLUOROMETHYLPHENOL
TIMTEC-BB SBB008329
,,-Trifluoro-m-cresol
3-(trifluoromethyl)-pheno
alpha,alpha,alpha-trifluoro-m-creso
m-Cresol, alpha,alpha,alpha-trifluoro-
3-Trifluoromethylphenol m-Trifluoromethylphenol
3-(trifluoromehtyl)phenyl
ALPHA,ALPHA,ALPHA-TRIFLUORO-M-CRESOL, 99 %
alpha,alpha,alpha-Trifluoro-m-cresol;
3-(Trifluoromethy)Phenol>99.5%
3-HydroxytrifluoromethylBenzene
3-Hydroxybenzotrifluoride,98%
alpha,alpha,alpha-Trifluoro-m-cresol, 98+%
[EINECS(EC#)]

202-645-5
[Molecular Formula]

C7H5F3O
[MDL Number]

MFCD00002299
[Molecular Weight]

162.11
[MOL File]

98-17-9.mol
Chemical PropertiesBack Directory
[Appearance]

Clear colourless to light yellow liquid
[Melting point ]

−2-−1.8 °C(lit.)
[Boiling point ]

178-179 °C(lit.)
[density ]

1.333 g/mL at 25 °C(lit.)
[vapor pressure ]

0.56 mm Hg ( 40 °C)
[refractive index ]

n20/D 1.458(lit.)
[Fp ]

165 °F
[storage temp. ]

Inert atmosphere,Room Temperature
[form ]

Liquid
[pka]

8.68(at 25℃)
[color ]

Clear yellow
[Water Solubility ]

insoluble
[Detection Methods]

GC,NMR
[BRN ]

2045663
[InChI]

1S/C7H5F3O/c8-7(9,10)5-2-1-3-6(11)4-5/h1-4,11H
[InChIKey]

UGEJOEBBMPOJMT-UHFFFAOYSA-N
[SMILES]

Oc1cccc(c1)C(F)(F)F
[LogP]

2.95 at 25℃
[CAS DataBase Reference]

98-17-9(CAS DataBase Reference)
[NIST Chemistry Reference]

Phenol, 3-(trifluoromethyl)-(98-17-9)
[EPA Substance Registry System]

98-17-9(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P264-P271-P280-P302+P352-P305+P351+P338
[Hazard Codes ]

Xi,T
[Risk Statements ]

R37/38:Irritating to respiratory system and skin .
R41:Risk of serious damage to eyes.
R34:Causes burns.
R24/25:Toxic in contact with skin and if swallowed .
R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S39:Wear eye/face protection .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
[WGK Germany ]

3
[RTECS ]

GP3510000
[Hazard Note ]

Irritant
[TSCA ]

T
[REACH Registrations]

Active
[HazardClass ]

8
[HazardClass ]

TOXIC
[HS Code ]

29081900
[Storage Class]

10 - Combustible liquids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Hazard InformationBack Directory
[Chemical Properties]

Clear colourless to light yellow liquid
[Uses]

5-Trifluoromethylphenol, is a versatile buidiling block used for the synthesis of various chemical compounds, including pesticides. It can be utilized for the preparation of potassium methyl 1-(substituted phenoxyacetoxy)alkylphosphonatehaving herbicidal activities.
[Application]

3-Trifluoromethylphenol is used as an intermediate in pesticides, pharmaceuticals and dyes.
[Definition]

ChEBI: 3-(Trifluoromethyl)phenol is a member of (trifluoromethyl)benzenes.
[Hazard]

3-Trifluoromethylphenol causes skin irritation and serious eye irritation. It may cause respiratory irritation.
[Toxics Screening Level]

The 25 mg/kg will be used as a surrogate for a LD50 in the equation from R232(1 )(h) as follows. The initial threshold screening level (ITSL) for m-trifluoromethylphenol is 0.08 μg/m3 with annual averaging.
Spectrum DetailBack Directory
[Spectrum Detail]

3-Trifluoromethylphenol(98-17-9)MS
3-Trifluoromethylphenol(98-17-9)1HNMR
3-Trifluoromethylphenol(98-17-9)IR1
3-Trifluoromethylphenol(98-17-9)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

alpha,alpha,alpha-Trifluoro-m-cresol, 98+%(98-17-9)
[Alfa Aesar]

3-(Trifluoromethyl)phenol, 98+%(98-17-9)
[Sigma Aldrich]

98-17-9(sigmaaldrich)
[TCI AMERICA]

3-Hydroxybenzotrifluoride,>98.0%(GC)(98-17-9)
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