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| CAS No.: | 402-45-9 |
|---|---|
| Name: | 4-Trifluoromethylphenol |
| Molecular Structure: | |
|
|
|
| Formula: | C7H5F3O |
| Molecular Weight: | 162.111 |
| Synonyms: | p-Cresol, a,a,a-trifluoro- (7CI,8CI);4-(Trifluoromethyl)phenol;4-Hydroxybenzotrifluoride;NSC 88303;p-Hydroxybenzotrifluoride;p-Trifluoromethylphenol;a,a,a-Trifluoro-4-cresol;a,a,a-Trifluoro-p-cresol; |
| EINECS: | 206-945-7 |
| Density: | 1.335 g/cm3 |
| Melting Point: | 45-47 °C(lit.) |
| Boiling Point: | 185.5 °C at 760 mmHg |
| Flash Point: | 80.1 °C |
| Solubility: | Insoluble in water |
| Appearance: | White to yellowish-brown crystals |
| Hazard Symbols: |
 Xn,  Xi
|
| Risk Codes: | 22-37/38-41-36/37/38 |
| Safety: | 26-39-24/25 |
| Transport Information: | UN 2926 4.1/PG 2 |
| PSA: | 20.23000 |
| LogP: | 2.41100 |
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Chemistry
Product Name: 4-Trifluoromethylphenol (CAS NO.402-45-9)
Molecular Formula: C7H5F3O
Molecular Weight: 162.11g/mol
Mol File: 402-45-9.mol
EINECS: 206-945-7
Appearance: White to yellowish-brown crystals
Melting Point: 45-47 °C(lit.)
Boiling point: 185.5 °C at 760 mmHg
Storage Temperature: 0-6°C
Flash Point: 80.1 °C
Density: 1.335 g/cm3
Index of Refraction: 1.457
Molar Refractivity: 33.11 cm3
Molar Volume: 121.3 cm3
Surface Tension: 28.1 dyne/cm
Enthalpy of Vaporization: 43.9 kJ/mol
Vapour Pressure: 0.506 mmHg at 25°C
XLogP3-AA: 2.8
H-Bond Donor: 1
H-Bond Acceptor: 4
Structure Descriptors of 4-Trifluoromethylphenol (CAS NO.402-45-9):
IUPAC Name: 4-(trifluoromethyl)phenol
Canonical SMILES: C1=CC(=CC=C1C(F)(F)F)O
InChI: InChI=1S/C7H5F3O/c8-7(9,10)5-1-3-6(11)4-2-5/h1-4,11H
InChIKey: BAYGVMXZJBFEMB-UHFFFAOYSA-N
Product Categories: Trifluoromethylbenzene serise; Aromatic Phenols; Phenol&Thiophenol&Mercaptan; Fluorochemicals
Safety Profile
Safety Information of 4-Trifluoromethylphenol (CAS NO.402-45-9):
Hazard Codes: Xn
,Xi
Risk Statements: 22-37/38-41-36/37/38
R22:Harmful if swallowed.
R37/38:Irritating to respiratory system and skin.
R41:Risk of serious damage to the eyes.
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-39-24/25
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S39:Wear eye / face protection.
S24/25:Avoid contact with skin and eyes.
RIDADR: UN 2926 4.1/PG 2
WGK Germany: 3
Hazard Note: Irritant/Keep Cold
HS Code: 29081000
Specification
4-Trifluoromethylphenol , its CAS NO. is 402-45-9, the synonyms are Phenol, 4-(trifluoromethyl)- ; alpha,alpha,alpha-Trifluoro-p-cresol .