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CAS Number: 55877-79-7
5-chloro-2-methoxybenzonitrile

Structure

 5-chloro-2-methoxybenzonitrile
Name: 5-chloro-2-methoxybenzonitrile
Synonyms:
General Information
Product Number: 55877797

CAS Registry Number 55877-79-7
Name:
Benzonitrile, 5-​chloro-​2-​methoxy-
o-Anisonitrile, 5-chloro- (6CI)
4-Chloro-2-cyanoanisole
5-Chloro-2-methoxybenzonitrile

 

Chemical Formula: C8H6ClNO
Exact Mass: 167.01
Molecular Weight: 167.59
m/z: 167.01 (100.0%), 169.01 (32.0%), 168.02 (8.8%), 170.01 (2.9%)

 

InChI:InChI=1S/C8H6ClNO/c1-11-8-3-2-7(9)4-6(8)5-10/h2-4H,1H3

InChI Key:LREABOKKLIVXNA-UHFFFAOYSA-N

Canonical SMILES:COC1=C(C=C(C=C1)Cl)C#N

 

Thermal Properties Value Condition Note
Melting Point 101 °C   (4)CAS
Melting Point 99-100 °C Solv: ethanol (64-17-5) (5)CAS
Melting Point 99 °C   (6)CAS
Melting Point 75-76 °C   (7)CAS

Specification

98%

References
  1. (4) de Crauw, Th.; Recueil des Travaux Chimiques des Pays-Bas et de la Belgique 1931, V50, P753-92 CAPLUS
  2. (5) Przytycka, Roza; Roczniki Chemii 1954, V28, P663-6 CAPLUS
  3. (6) Brand, K.; Journal fuer Praktische Chemie (Leipzig) 1928, V120, P199-213 CAPLUS
  4. (7) Ugi, I.; Angewandte Chemie 1965, V77(11), P492-504 CAPLUS
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