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CAS Number: 196-78-1
benzo[g]chrysene

Structure

 benzo[g]chrysene
Name: benzo[g]chrysene
Synonyms:
General Information
Product Number: 196781

CAS Registry Number 196-78-1
Name:
Benzo[g]?chrysene
Ring Parent
1,2,3,4-Dibenzphenanthrene
1,2:3,4-Dibenzophenanthrene
1,2:3,4:7,8-Tribenznaphthalene
Benzo[a]triphenylene

 

Chemical Formula: C22H14
Exact Mass: 278.11
Molecular Weight: 278.35
m/z: 278.11 (100.0%), 279.11 (23.8%), 280.12 (2.7%)

 

InChI:InChI=1S/C22H14/c1-2-8-16-15(7-1)13-14-21-19-11-4-3-9-17(19)18-10-5-6-12-20(18)22(16)21/h1-14H

InChI Key:JZOIZKBKSZMVRV-UHFFFAOYSA-N

Canonical SMILES:C1=CC=C2C(=C1)C=CC3=C2C4=CC=CC=C4C5=CC=CC=C35

 

Thermal Properties Value Condition Note
Formation Enthalpy See full text   (2)CAS
Melting Point 126-127 °C   (3)CAS
Melting Point 116 °C   (4)IC
Melting Point 115-116 °C   (5)CAS
Melting Point 114.5-115 °C   (6)CAS
Melting Point 114 °C Solv: acetic acid (64-19-7) (7)IC
Melting Point 112-114 °C   (8)IC

Specification

98%
References
  1. (2) Yu, Joanna; Journal of the American Chemical Society 2004, V126(39), P12685-12700 CAPLUS
  2. (3) Scholz, Manfred; Tetrahedron Letters 1967, (7), P665-8 CAPLUS
  3. (4) Sukumaran, Kutikat B.; Journal of Organic Chemistry 1981, V46(13), P2740-5 CAPLUS
  4. (5) Bavin, P. M. G.; Journal of the Chemical Society 1955, P4479-82 CAPLUS
  5. (6) Hewitt, C. L.; Journal of the Chemical Society 1938, P193-6 CAPLUS
  6. (7) Agarwal, Shiv K.; Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999) 1985, (4), P857-60 CAPLUS
  7. (8) Utermoehlen, Clifford M.; Journal of Organic Chemistry 1987, V52(25), P5574-82 CAPLUS
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