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3827-49-4

3827-49-4 Structure

3827-49-4 Structure
IdentificationMore
[Name]

2-Chloro-5-fluorophenol
[CAS]

3827-49-4
[Synonyms]

2-CHLORO-5-FLUOROPHENOL
2-Chloro-5-fluorophenol,min.97%
2-Chloro-5-fluorophenol 98%
2-Chloro-5-fluorophenol98%
2-Chloro-5-fluorophenol, min. 97%
[EINECS(EC#)]

609-539-1
[Molecular Formula]

C6H4ClFO
[MDL Number]

MFCD00042524
[Molecular Weight]

146.55
[MOL File]

3827-49-4.mol
Questions And AnswerBack Directory
[Synthesis]

No publicly reported methods for synthesizing 2-chloro-5-fluorophenol have been found. This paper uses p-fluoroaniline as a starting material and introduces hydroxyl groups via bromination, diazotization chlorination, and Grignard reaction to synthesize 2-chloro-5-fluorophenol. The synthetic route is shown below.

Synthesis of 3827-49-4

Figure 1: Synthetic route of 2-chloro-5-fluorophenol

[Uses]

2-Chloro-5-fluorophenol is a pharmaceutical intermediate that can be used to synthesize a triazole oxytocin antidote.
Chemical PropertiesBack Directory
[Appearance]

clear colourless to pale yellow liquid
[Boiling point ]

183-185 °C
[density ]

1.3675 (estimate)
[refractive index ]

1.524-1.526
[Fp ]

183-185°C
[storage temp. ]

Sealed in dry,Room Temperature
[form ]

Liquid
[pka]

7.50±0.10(Predicted)
[color ]

Clear colorless to pale yellow
[Water Solubility ]

slightly soluble
[InChI]

InChI=1S/C6H4ClFO/c7-5-2-1-4(8)3-6(5)9/h1-3,9H
[InChIKey]

CMQOZIKIOASEIN-UHFFFAOYSA-N
[SMILES]

C1(O)=CC(F)=CC=C1Cl
[CAS DataBase Reference]

3827-49-4(CAS DataBase Reference)
Safety DataBack Directory
[Symbol(GHS) ]

Corrosion (GHS05)Exclamation Mark (GHS07)Environment (GHS09)
GHS05,GHS07,GHS09
[Signal word ]

Warning
[Hazard statements ]

H302-H312-H314-H318-H401-H411
[Precautionary statements ]

P273-P280-P303+P361+P353-P305+P351+P338-P310
[Hazard Codes ]

Xn,Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
[Safety Statements ]

S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
[RIDADR ]

2810
[Hazard Note ]

Irritant
[HazardClass ]

8
[HS Code ]

29081990
Hazard InformationBack Directory
[Chemical Properties]

clear colourless to pale yellow liquid
Spectrum DetailBack Directory
[Spectrum Detail]

2-Chloro-5-fluorophenol(3827-49-4)1HNMR
2-Chloro-5-fluorophenol(3827-49-4)FT-IR
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

2-Chloro-5-fluorophenol, 98%(3827-49-4)
[Alfa Aesar]

2-Chloro-5-fluorophenol, 98%(3827-49-4)
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