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Sigma-Aldrich

2-Chloro-6-fluorobenzonitrile

98%

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About This Item

Linear Formula:
ClC6H3(F)CN
CAS Number:
668-45-1
Molecular Weight:
155.56
Beilstein:
1940332
EC Number:
211-571-2
MDL number:
MFCD00001780
UNSPSC Code:
12352100
PubChem Substance ID:
24851304
NACRES:
NA.22

Assay

98%

form

solid

bp

104 °C/11 mmHg (lit.)

mp

55-59 °C (lit.)

SMILES string

Fc1cccc(Cl)c1C#N

InChI

1S/C7H3ClFN/c8-6-2-1-3-7(9)5(6)4-10/h1-3H

InChI key

XPTAYRHLHAFUOS-UHFFFAOYSA-N

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General description

2-Chloro-6-fluorobenzonitrile is an inhibitor of cellulose synthesis.

Application

2-Chloro-6-fluorobenzonitrile was used in the synthesis of:
  • rac-2-chloro-6-(oxiran-2-ylmethoxy)benzonitrile
  • high-molecular-weight, soluble polyarylether alternating copolymers containing pendent cyano groups

Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Classifications

Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

Target Organs

Respiratory system

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

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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Chemoenzymatic synthesis of calcilytic agent NPS-2143 employing a lipase-mediated resolution protocol.
Kamal A and Chouhan G.
Tetrahedron Asymmetry, 16(16), 2784-2789 (2005)
Synthesis and properties of new alternating copolyethers containing pendent cyano groups.
Mercer FW, et al.
Polymer, 35(24), 5355-5363 (1994)
D Montezinos et al.
Planta, 148(4), 305-311 (1980-04-01)
Several compounds were tested for their ability to inhibit the in-vivo synthesis of cellulose and other cell-wall polysaccharides in fibers of cotton (Gossypium hirsutum L.) developing on in-vitro cultured ovules. Inhibitory effects were measured by the ability of the compounds

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