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CAS Number: 2315-81-3
3-chloro-4-hydroxybenzonitrile

Structure

3-chloro-4-hydroxybenzonitrile
Name: 3-chloro-4-hydroxybenzonitrile
Synonyms:
General Information
Product Number: 2315813

CAS Registry Number: 2315-81-3

Name:

Benzonitrile, 3-​chloro-​4-​hydroxy-
2-​Chloro-​4-​cyanophenol; 3-​Chloro-​4-​hydroxybenzonitrile; 4-​Cyano-​2-​chlorophenol 

 

Chemical Formula: C7H4ClNO
Exact Mass: 153.00
Molecular Weight: 153.57
m/z: 153.00 (100.0%), 155.00 (32.4%), 154.00 (8.0%), 156.00 (2.4%)

 

InChI: InChI=1S/C7H4ClNO/c8-6-3-5(4-9)1-2-7(6)10/h1-3,10H
InChIKey: CRYPJUOSZDQWJZ-UHFFFAOYSA-N
Canonical SMILES : C1=CC(=C(C=C1C#N)Cl)O

 

Thermal Properties Value Condition Note
Melting Point 155 °C   (2)CAS
Melting Point 155 °C   (3)CAS
Melting Point 153 °C Solv: water (7732-18-5) (1)CAS
Melting Point 150 °C Solv: ligroine (8032-32-4) (4)IC

Specification

98%

References
  1. (1) Sokolova, R.; Journal of Electroanalytical Chemistry 2008, V622(2), P211-218 CAPLUS
  2. (2) Nakaoka, Toshio; DE 1230026 1966 CAPLUS
  3. (3) GB 1090155 1967 CAPLUS
  4. (4) Rateb, Latif; Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry 1978, V16B(4), P297-300 CAPLUS
  5. (5) Barluenga, Jose; Journal of the American Chemical Society 2009, V131(11), P4031-4041 CAPLUS
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