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Dibenzo[a,e]cyclooctene structure

Dibenzo[a,e]cyclooctene
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1. Names and Identifiers
1.1 Name
Dibenzo[a,e]cyclooctene
1.2 Synonyms
Cycloocta[1,2,5,6]dibenzene; Cycloocta[a,e]dibenzene; Dibenzo[a,e]cyclooctatetraene; sym-Dibenzocyclooctatetraene;
1.3 CAS No.
262-89-5
1.4 CID
5375696
1.5 Molecular Formula
C16H12
1.6 Inchi
InChI=1S/C16H12/c1-2-6-14-11-12-16-8-4-3-7-15(16)10-9-13(14)5-1/h1-12H/b10-9-,12-11-,13-9?,14-11?,15-10?,16-12?
1.7 InChkey
VGQWCQNHAMVTJY-RKUAQPHYSA-N
1.8 Canonical Smiles
C1=CC=C2C=CC3=CC=CC=C3C=CC2=C1
1.9 Isomers Smiles
C1=CC=C/2C(=C1)/C=C\C3=CC=CC=C3/C=C2
2. Properties
2.1 Λmax
304nm(CH2Cl2)(lit.)
2.2 Appearance
White to Yellow to Orange powder to crystal
2.3 StorageTemp
0-10°C
3. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s) no data available
Signal word

no data available

Hazard statement(s)

no data available
Precautionary statement(s)
Prevention

no data available

Response

no data available

Storage

no data available

Disposal

no data available

2.3 Other hazards which do not result in classification

no data available

View all
4. Synthesis Route
262-89-5Total: 2 Synthesis Route
 
120-12-7
120-12-7 89 Suppliers
 
262-89-5
262-89-5 4 Suppliers
 
13209-15-9
13209-15-9 31 Suppliers
 
95-47-6
95-47-6 160 Suppliers
 
694-87-1
694-87-1 62 Suppliers
 
262-89-5
262-89-5 4 Suppliers
 
22250-72-2
22250-72-2
5. Precursor and Product
precursor:
120-12-7
120-12-7
13209-15-9
13209-15-9
product:
1924-29-4
1924-29-4
1460-59-9
1460-59-9
53397-65-2
53397-65-2
1924-28-3
1924-28-3
6. Computed Properties
  • Molecular Weight：204.272g/mol
  • Molecular Formula：C16H12
  • Compound Is Canonicalized：True
  • Exact Mass：4.8
  • XLogP3-AA：204.093900383
  • Monoisotopic Mass：204.093900383
  • Complexity：228
  • Rotatable Bond Count：0
  • Hydrogen Bond Donor Count：0
  • Hydrogen Bond Acceptor Count：0
  • Topological Polar Surface Area：0
  • Heavy Atom Count：：16
  • Defined Atom Stereocenter Count：0
  • Undefined Atom Stereocenter Count：0
  • Defined Bond Stereocenter Count：2
  • Undefined Bond Stereocenter Count：0
  • Isotope Atom Count：0
  • Covalently-Bonded Unit Count：1
  • CACTVS Substructure Key Fingerprint：AAADccB4AAAAAAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAQAAABQAAAGAAAAAAADACAGAAwAIAAAACAAiBCAAACAAAgAAAIiAAAAIgIICKAERCAIAAggAAIiAcAgIAOgAAAAAAQAAAAAAAAACAAAAAAAAAAAA==
7. Toltal 4 Suppliers View more
(2Z,10Z)-Tricyclo[10.4.0.04,9]hexadeca-1(12),2,4,6,8,10,13,15-octaene
VladaChem GmbH
Germany
Tel: Update Time:2022/01/01
inquire
Dibenzo[a,e]cyclooctene
TOKYO CHEMICAL INDUSTRY CO., LTD.
Japan
Tel: Update Time:2022/01/01
inquire
Dibenzo[a,e]cyclooctene
TCI Europe NV
Belgium
Tel: Update Time:2022/01/01
inquire
Dibenzo[a,e]cyclooctene
TCI AMERICA
United States
Tel: Update Time:2022/01/01
inquire
8. Realated Product Infomation
 
1. Names and Identifiers
2. Properties
3. Msds
4. Synthesis Route
5. Precursor and Product
6. Computational chemical data
7. Toltal 4 Suppliers
8. Realated Product Infomation
 
 
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