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CAS Number: 94087-40-8
3-chloro-2-fluorobenzonitrile

Structure

3-chloro-2-fluorobenzonitrile
Name: 3-chloro-2-fluorobenzonitrile
Synonyms:
General Information
Product Number: 94087408
CAS Registry Number: 94087-40-8
Name:
 
        Benzonitrile, 3-​chloro-​2-​fluoro-
        3-​Chloro-​2-​fluorobenzonitrile 
 
Chemical Formula: C7H3ClFN
Exact Mass: 154.99
Molecular Weight: 155.56
m/z: 154.99 (100.0%), 156.99 (32.0%), 156.00 (7.6%), 157.99 (2.5%)
Elemental Analysis: C, 54.05; H, 1.94; Cl, 22.79; F, 12.21; N, 9.00
 
InChI: InChI=1S/C7H3ClFN/c8-6-3-1-2-5(4-10)7(6)9/h1-3H
InChIKey: CHKLNKWJIDQKFV-UHFFFAOYSA-N
Canonical SMILES : C1=CC(=C(C(=C1)Cl)F)C#N

Specification

98%

References

PCT Int. Appl. (2013), WO 2013056003 A2 20130418. 

PCT Int. Appl. (2012), WO 2012093101 A1 20120712.

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