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CAS Number: 105191-41-1
4-chloro-3-formylbenzonitrile

Structure

4-chloro-3-formylbenzonitrile
Name: 4-chloro-3-formylbenzonitrile
Synonyms:
General Information
Product Number: 105191411

CAS Registry Number 105191-41-1
Name:
Benzonitrile, 4-​chloro-​3-​formyl-
2-Chloro-5-cyanobenzaldehyde
4-Chloro-3-formylbenzonitrile

 

Chemical Formula: C8H4ClNO
Exact Mass: 165.00
Molecular Weight: 165.58
m/z: 165.00 (100.0%), 167.00 (32.5%), 166.00 (9.1%), 168.00 (2.8%)

 

InChI:InChI=1S/C8H4ClNO/c9-8-2-1-6(4-10)3-7(8)5-11/h1-3,5H

InChI Key:JVRHVSUFKIQVFN-UHFFFAOYSA-N

Canonical SMILES:C1=CC(=C(C=C1C#N)C=O)Cl

 

Thermal Properties Value Condition Note
Melting Point 191-193 °C Solv: hexane (110-54-3); ethyl acetate (141-78-6) (1)CAS

Specification

98%

References

(1) Patrick, Donald A.; Journal of Medicinal Chemistry 2007, V50(10), P2468-2485 CAPLUS

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