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247707

Sigma-Aldrich

4-Chloro-2-fluorotoluene

≥99%

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About This Item

Linear Formula:
CH3C6H3(Cl)F
CAS Number:
452-75-5
Molecular Weight:
144.57
EC Number:
207-210-3
MDL number:
MFCD00000571
UNSPSC Code:
12352100
PubChem Substance ID:
24854886
NACRES:
NA.22

Quality Level

100

Assay

≥99%

form

liquid

refractive index

n20/D 1.498 (lit.)

bp

158 °C/743 mmHg (lit.)

density

1.186 g/mL at 25 °C (lit.)

functional group

chloro

SMILES string

Cc1ccc(Cl)cc1F

InChI

1S/C7H6ClF/c1-5-2-3-6(8)4-7(5)9/h2-4H,1H3

InChI key

MKFCYQTVSDCXAQ-UHFFFAOYSA-N

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General description

Fourier Transform (FT)-IR and FT-Raman spectra of solid sample of 4-chloro-2-fluorotoluene have been studied.

Application

4-Chloro-2-fluorotoluene has been used in the preparation of 4-chloro-2-fluoro-benzylbromide.

Pictograms

FlameExclamation mark
GHS02,GHS07

Signal Word

Warning

Hazard Statements

H226,H315,H319,H335

Hazard Classifications

Eye Irrit. 2 - Flam. Liq. 3 - Skin Irrit. 2 - STOT SE 3

Target Organs

Respiratory system

Storage Class Code

3 - Flammable liquids

WGK

WGK 3

Flash Point(F)

123.8 °F - closed cup

Flash Point(C)

51 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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S Ramalingam et al.
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 78(1), 429-436 (2010-12-15)
FT-IR (4000-100 cm(-1)) and FT-Raman (4000-100 cm(-1)) spectra of solid sample of 4-chloro-2-fluoro toluene (4Cl2FT) have been recorded using Bruker IFS 66 V spectrometer. Ab initio-HF (HF/6-311++G (d, p)) and DFT (B3LYP/6-311++G and B3PW91/6-311++G (d, p)) calculations have been performed
Synthesis and antitumor activity of platinum (II) complexes containing substituted ethylenediamine ligands.
Brunner H, et al.
European Journal of Medicinal Chemistry, 25(1), 35-44 (1990)

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