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Home> Encyclopedia > Hot Product Listed 4   > 4-(Trifluoromethoxy)phenol
828-27-3 structure

4-(Trifluoromethoxy)phenol

Iupac Name:4-(trifluoromethoxy)phenol
CAS No.:828-27-3
EINECS(EC#): 212-583-0
Molecular Weight:178.10861
Molecular Formula:C7H5F3O2 (isomer)
Names and Identifiers
Synonyms

4-(trifluoro methoxy) phenol 4-Hydroxytrifluoromethoxybenzene 4-Trifluoromethoxyphenol p-(Triflourmethoxy)phenol p-(Trifluoromethoxy)phenol p-Trifluoromethoxyphenol TFMOPO

Inchi
InChI=1/C7H5F3O2/c8-7(9,10)12-6-3-1-5(11)2-4-6/h1-4,11H
InChkey
WDRJNKMAZMEYOF-UHFFFAOYSA-N
Canonical Smiles
C1=CC(=CC=C1O)OC(F)(F)F
Properties
Appearance
clear brown liquid
Density
1.375
Melting Point
17-18°C
Boiling Point
80℃ (15 mmHg)
Refractive Index
1.446-1.448
Flash Point
86℃
Solubility
Soluble
Stability
Stable at room temperature in closed containers under normal storage and handling conditions.
HS Code
29095090
Storage temp
Keep away from heat, sparks, and flame. Keep away from sources of ignition. Do not store in direct sunlight. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. Do not expose to air. Store protected from light. Store under an inert atmosphere.
Safety and Handling
Hazard Codes
Xn
Risk Statements
R20/21/22;R36/37/38
Safety Statements
S26;S36/37/39
HazardClass
6.1
Safety

Hazard Codes: IrritantXi,HarmfulXn
Risk Statements: 20/21/22-36/37/38 
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed. 
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-27-36/37/39 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S27:Take off immediately all contaminated clothing. 
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
RIDADR: 2927
WGK Germany: 2
Hazard Note: Irritant
HazardClass: 6.1
PackingGroup: III

PackingGroup
III
Transport
2927
Specification

 4-(Trifluoromethoxy)phenol (CAS NO.828-27-3), its Synonyms are p-(Trifluoromethoxy)phenol ; 4-Hydroxytrifluoromethoxybenzene ; p-Trifluoromethoxyphenol ; 4-(Trifluoro methoxy) phenol .

MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Not classified.

2.2 GHS label elements, including precautionary statements

Pictogram(s) No symbol.
Signal word

No signal word.

Hazard statement(s)

none

Precautionary statement(s)
Prevention

none

Response

none

Storage

none

Disposal

none

2.3 Other hazards which do not result in classification

none

Precursor and Product
Computational chemical data
  • Molecular Weight:178.10861g/mol
  • Molecular Formula:C7H5F3O2
  • XLogP3-AA:2.6
  • Exact Mass:178.024164
  • Monoisotopic Mass:178.024164
  • Complexity:138
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:5
  • Topological Polar Surface Area:29.5
  • Heavy Atom Count:12
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
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