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CAS Number: 34244-15-0
1-iodopyrene

Structure

 1-iodopyrene
Name: 1-iodopyrene
Synonyms:
General Information
Product Number: 34244150

CAS Registry Number 34244-15-0
Name:
Pyrene, 1-​iodo-
1-Iodopyrene

 

Chemical Formula: C16H9I
Exact Mass: 327.97
Molecular Weight: 328.15
m/z: 327.97 (100.0%), 328.98 (17.4%), 329.98 (1.4%)

 

InChI:InChI=1S/C16H9I/c17-14-9-7-12-5-4-10-2-1-3-11-6-8-13(14)16(12)15(10)11/h1-9H

InChI Key:CWNJSSNWLUIMDP-UHFFFAOYSA-N

Canonical SMILES:C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)I

 

Thermal Properties Value Condition Note
Melting Point 88 °C   (3)CAS
Melting Point 85-87 °C   (2)IC
Melting Point 85 °C Solv: ethanol (64-17-5); ethyl acetate (141-78-6); acetic acid (64-19-7)(4:1:0.5) (4)CAS

Specification

98%
References
  1. (2) Suzuki, Hitomi; Synthesis 1986, (2), P121-2 CAPLUS
  2. (3) Lund, Hakon; Kgl. Danske Videnskab. Selskab., Mathfys. Medd. 1946, V22(No. 15), P1-16 CAPLUS
  3. (4) Berg, Arne; Acta Chemica Scandinavica 1949, V3, P655-9 CAPLUS
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