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CAS Number: 5394-23-0
4,7-dichloro-1,10-phenanthroline

Structure

4,7-dichloro-1,10-phenanthroline
Name: 4,7-dichloro-1,10-phenanthroline
Synonyms:
General Information
Product Number: 5394230
CAS Registry Number: 5394-23-0
Name:
1,​10-​Phenanthroline, 4,​7-​dichloro-
4,​7-​Dichloro-​1,​10-​phenanthroline; 4,​7-​Dichloro-​o-​phenanthroline; NSC 626 
 
Chemical Formula: C12H6Cl2N2
Exact Mass: 247.99
Molecular Weight: 249.10
m/z: 247.99 (100.0%), 249.99 (64.0%), 248.99 (13.7%), 251.98 (10.2%), 250.99 (8.3%), 252.99 (1.3%)
Elemental Analysis: C, 57.86; H, 2.43; Cl, 28.47; N, 11.25
 
InChI: InChI=1S/C12H6Cl2N2/c13-9-3-5-15-11-7(9)1-2-8-10(14)4-6-16-12(8)11/h1-6H
InChIKey: GIEQBYJCGYHHSU-UHFFFAOYSA-N
Canonical SMILES : C1=CC2=C(C=CN=C2C3=NC=CC(=C31)Cl)Cl
 
Thermal Properties Value Condition Note
Melting Point 250-251 °C Solv: ethanol (64-17-5) (3)IC
Melting Point 249-250 °C   (4)CAS
Melting Point 245-247 °C   (5)CAS
Melting Point 245-247 °C Solv: water (7732-18-5) (6)CAS

Specification

98%

References
  1. (1) WSS: Spectral data were obtained from Wiley Subscription Services, Inc. (US)
  2. (2) Molock, Frank F.; Organic Magnetic Resonance 1982, V20(1), P16-19 CAPLUS
  3. (3) Molock, Frank F.; Journal of Heterocyclic Chemistry 1983, V20(3), P681-6 CAPLUS
  4. (4) Snyder, R.; Journal of the American Chemical Society 1946, V68, P1320-2 CAPLUS
  5. (5) Altman, Ryan A.; Journal of Organic Chemistry 2007, V72(16), P6190-6199 CAPLUS
  6. (6) Altman, Ryan A.; Organic Letters 2006, V8(13), P2779-2782 CAPLUS
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