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CAS Number: 5274-70-4
2-hydroxy-3-nitrobenzaldehyde

Structure

 2-hydroxy-3-nitrobenzaldehyde
Name: 2-hydroxy-3-nitrobenzaldehyde
Synonyms:
General Information
Product Number: 5274704
CAS Registry Number: 5274-70-4
Name:
        Benzaldehyde, 2-​hydroxy-​3-​nitro-
        Salicylaldehyde, 3-​nitro- (6CI,​7CI,​8CI); 2-​Hydroxy-​3-​nitrobenzaldehyde; 3-​Nitro-​2-​hydroxybenzaldehyde; 3-​Nitrosalicylaldehyde; NSC 38026 
        Deleted CAS Registry Numbers: 1186390-​87-​3
 
Chemical Formula: C7H5NO4
Exact Mass: 167.02
Molecular Weight: 167.12
m/z: 167.02 (100.0%), 168.03 (7.8%), 169.03 (1.1%)
Elemental Analysis: C, 50.31; H, 3.02; N, 8.38; O, 38.29
 
InChI: InChI=1S/C7H5NO4/c9-4-5-2-1-3-6(7(5)10)8(11)12/h1-4,10H
InChIKey: NUGOTBXFVWXVTE-UHFFFAOYSA-N
Canonical SMILES : C1=CC(=C(C(=C1)[N+](=O)[O-])O)C=O
 
Thermal Properties Value Condition Note
Melting Point 125 °C Solv: acetic acid (64-19-7) (4)CAS
Melting Point 108-109 °C Solv: acetic acid (64-19-7) (5)CAS

Specification

98%
References
  1. (1) AIST: Integrated Spectral Database System of Organic Compounds. (Data were obtained from the National Institute of Advanced Industrial Science and Technology (Japan))
  2. (2) Aridoss, Gopalakrishnan; Journal of Organic Chemistry 2011, V76(19), P8088-8094 CAPLUS
  3. (3) WSS: Spectral data were obtained from Wiley Subscription Services, Inc. (US)
  4. (4) Colonge, Jean; Bulletin de la Societe Chimique de France 1964, (12), P3090-6 CAPLUS
  5. (5) Ichibagase, Hisashi; Yakugaku Zasshi 1952, V72, P878-80 CAPLUS
  6. (6) Forsen, Sture; Acta Chemica Scandinavica 1963, V17(6), P1712-16 CAPLUS
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