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CAS Number: 42156-92-3
phenanthrene-4-carboxylic acid

Structure

phenanthrene-4-carboxylic acid
Name: phenanthrene-4-carboxylic acid
Synonyms:
General Information
Product Number: 42156923
CAS Registry Number: 42156-92-3
Name:
        4-​Phenanthrenecarboxyl​ic acid
        4-​Phenanthroic acid; NSC 141339 
 
C15H10O2
Exact Mass: 222.07
Mol. Wt.: 222.24
m/e: 222.07 (100.0%), 223.07 (16.4%), 224.07 (1.6%)
C, 81.07; H, 4.54; O, 14.40
 
InChI: InChI=1S/C15H10O2/c16-15(17)13-7-3-5-11-9-8-10-4-1-2-6-12(10)14(11)13/h1-9H,(H,16,17)
InChIKey: HHZVGTSZLAQRSM-UHFFFAOYSA-N
Canonical SMILES : C1=CC=C2C(=C1)C=CC3=C2C(=CC=C3)C(=O)O
 
Thermal Properties Value Condition Note
Melting Point 220 °C   (3)CAS
Melting Point 174.5-175.5 °C   (4)CAS
Melting Point 171.5-173 °C   (5)CAS
Melting Point 170-171 °C   (6)CAS
Melting Point See full text   (7)CAS

Specification

98%

References
  1. (1) Habe, Hiroshi; Journal of Bioscience and Bioengineering 2004, V98(4), P306-308 CAPLUS
  2. (2) Zhong, Yin; Environmental Toxicology and Chemistry 2006, V25(11), P2853-2859 CAPLUS
  3. (3) Scott, Norman D.; US 2054100 1936 CAPLUS
  4. (4) Dixon, Joseph A.; Journal of Organic Chemistry 1960, V25, P499-503 CAPLUS
  5. (5) Fieser, L. F.; Journal of the American Chemical Society 1936, V58, P2322-5 CAPLUS
  6. (6) Kruber, O.; Berichte der Deutschen Chemischen Gesellschaft [Abteilung] B: Abhandlungen 1934, V67B, P1000-5 CAPLUS
  7. (7) Rutherford, Kenneth G.; Journal of the American Chemical Society 1957, V79, P213-14 CAPLUS
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