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CAS RN: 95-95-4 | Product Number: T0389

2,4,5-Trichlorophenol


Purity: >95.0%(GC)
Synonyms:
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Product Number T0389
Purity / Analysis Method >95.0%(GC)
Molecular Formula / Molecular Weight C__6H__3Cl__3O = 197.44  
Physical State (20 deg.C) Solid
CAS RN 95-95-4
Reaxys Registry Number 607569
PubChem Substance ID 87576347
SDBS (AIST Spectral DB) 3096
Merck Index (14) 9643
MDL Number

MFCD00002170

Specifications
Appearance White to Almost white powder to crystal
Purity(GC) min. 95.0 %
Melting point 64.0 to 68.0 °C
Solubility in Methanol almost transparency
Properties (reference)
Melting Point 67 °C
Boiling Point 115 °C/10 mmHg
Solubility in water Insoluble
Degree of solubility in water 100 mg/l  
Solubility (soluble in) Alcohol,Ether,Benzene
GHS
Pictogram Pictogram Pictogram Pictogram
Signal Word Warning
Hazard Statements H302 : Harmful if swallowed.
H315 : Causes skin irritation.
H319 : Causes serious eye irritation.
H361 : Suspected of damaging fertility or the unborn child.
H335 : May cause respiratory irritation.
H336 : May cause drowsiness or dizziness.
H410 : Very toxic to aquatic life with long lasting effects.
Precautionary Statements P261 : Avoid breathing dust/ fume/ gas/ mist/ vapours/ spray.
P273 : Avoid release to the environment.
P201 : Obtain special instructions before use.
P264 : Wash skin thoroughly after handling.
P280 : Wear protective gloves/ protective clothing/ eye protection/ face protection.
P391 : Collect spillage.
Related Laws:
EC Number 202-467-8
RTECS# SN1400000
Transport Information:
UN Number UN2020
Class 6.1
Packing Group III
HS Number 2908190090
Application
A condensation Reaction via an Activated Ester

Experimental procedure: A mixture of DCC (1 mmol) and 2,4,5-trichlorophenol (1 mmol) in DMF (50 mL) is cooled to -10 °C and treated dropwise with a solution of cyclopentane carboxylic acid (1 mmol) in DMF (10 mL). The reaction mixture is allowed to warm to room temperature and is stirred overnight. Removal of the solvent under reduced pressure affords a white solid. The solid is triturated with ethyl acetate (50 mL), and the dicyclohexylurea is removed by filtration. Filtrate is evaporated under reduced pressure to afford oil. Flash chromatography on silica gel using EtOAc/hexanes (1:9) gives an active ester (1) in 88% yield.
A solution of 1 (1 mmol) in EtOAc (10 mL) is added dropwise to substituted L-histidine methyl ester (1 mmol) in EtOAc (50 mL) during 15 min, and the reaction mixture is stirred at ambient temperature for 24 h. Complete removal of the solvent in vacuo gives crude product. Flash column chromatography on silica gel using a solvent system of EtOAc/CH3OH (94:6) provides 2 (yield is not shown).

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