Basic information
- Name:
3-Trifluoromethylphenol
- CAS No.:
98-17-9
- Molecular Structure:
- Formula:
- C7H5F3O
- Molecular Weight:
- 162.11
- Synonyms:
- alpha,alpha,alpha-Trifluoro-m-cresol;m-(Trifluoromethyl)phenol;M-trifluoromethylphenol;M-trifluoromethyl phenol;3-hydroxybenzotrifluoride/3-(trifluoromethyl)phenol;3-(Trifluoromethyl) phenol;Trifluorotoluene series;2,3-Difluoro-4-bromophenol;3-Trifluoro Methyl Phenol;α,α,α-trifluoro-m-cresol;3-Trifluoromethyl phenol 99.5% min.;3-hydroxytrifluoromethylbenzene;3-Hydroxybenzotrifluoride;
- EINECS:
- 202-645-5
- Density:
- 1.335 g/cm3
- Melting Point:
- -2--1.8 °C(lit.)
- Boiling Point:
- 178 °C at 760 mmHg
- Flash Point:
- 73.9 °C
- Solubility:
- insoluble in water
- Appearance:
- colorless to light yellow liquid
- Hazard Symbols:
Xi,
T- Risk Codes:
- 37/38-41-34-24/25-36/37/38
- Safety Description:
- 26-39-45-36/37/39 Details
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Chemistry
Product Name: 3-Trifluoromethylphenol (CAS NO.98-17-9)
Molecular Formula: C7H5F3O
Molecular Weight: 162.11g/mol
Mol File: 98-17-9.mol
EINECS: 202-645-5
Appearance: Clear colourless to light yellow liquid
Melting Point: -2--1.8 °C(lit.)
Boiling point: 178 °C at 760 mmHg
Flash Point: 73.9 °C
Density: 1.335 g/cm3
Refractive index: n20/D 1.458(lit.)
Water Solubility: insoluble
Index of Refraction: 1.457
Molar Refractivity: 33.11 cm3
Molar Volume: 121.3 cm3
Surface Tension: 28.1 dyne/cm
Enthalpy of Vaporization: 43.13 kJ/mol
Vapour Pressure: 0.749 mmHg at 25°C
XLogP3-AA: 3
H-Bond Donor: 1
H-Bond Acceptor: 4
Structure Descriptors of 3-Trifluoromethylphenol (CAS NO.98-17-9):
IUPAC Name: 3-(trifluoromethyl)phenol
Canonical SMILES: C1=CC(=CC(=C1)O)C(F)(F)F
InChI: InChI=1S/C7H5F3O/c8-7(9,10)5-2-1-3-6(11)4-5/h1-4,11H
InChIKey: UGEJOEBBMPOJMT-UHFFFAOYSA-N
Product Categories: Trifluoromethylbenzene serise; Aromatic Phenols
Uses
3-Trifluoromethylphenol (CAS NO.98-17-9) can be used as pesticides, drugs and dye intermediates.
Toxicity Data With Reference
| 1. | ivn-rat LD50:57 mg/kg | JAPMA8 Journal of the American Pharmaceutical Association, Scientific Edition. 38 (1949),570. |
Consensus Reports
Reported in EPA TSCA Inventory.
Safety Profile
Safety Information of 3-Trifluoromethylphenol (CAS NO.98-17-9):
Hazard Codes: Xi
,T
Risk Statements: 37/38-41-34-24/25-36/37/38
R37/38:Irritating to respiratory system and skin.
R41:Risk of serious damage to the eyes.
R34:Causes burns.
R24:Toxic in contact with skin.
R25 :Toxic if swallowed.
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-39-45-36/37/39
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 the label whenever possible.)
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
WGK Germany: 3
RTECS: GP3510000
Hazard Note: Irritant
TSCA: T
HazardClass: TOXIC
Specification
3-Trifluoromethylphenol , its CAS NO. is 98-17-9, the synonyms are Phenol, 3-(trifluoromethyl)- ; alpha,alpha,alpha-Trifluoro-m-cresol ; m-Cresol, alpha,alpha,alpha-trifluoro- .
