Benzo[k,l]xanthene-3,4-dicarboxylic anhydride - CAS 36310-05-1
Catalog: |
BB022932 |
Product Name: |
Benzo[k,l]xanthene-3,4-dicarboxylic anhydride |
CAS: |
36310-05-1 |
Synonyms: |
8,14-dioxapentacyclo[10.6.2.02,7.09,19.016,20]icosa-1(19),2,4,6,9,11,16(20),17-octaene-13,15-dione |
IUPAC Name: | 8,14-dioxapentacyclo[10.6.2.02,7.09,19.016,20]icosa-1(19),2,4,6,9,11,16(20),17-octaene-13,15-dione |
Description: | Benzo[k,l]xanthene-3,4-dicarboxylic anhydride (CAS# 36310-05-1 ) is a useful research chemical. |
Molecular Weight: | 288.25 |
Molecular Formula: | C18H8O4 |
Canonical SMILES: | C1=CC=C2C(=C1)C3=C4C(=CC=C5C4=C(C=C3)C(=O)OC5=O)O2 |
InChI: | InChI=1S/C18H8O4/c19-17-11-6-5-10-9-3-1-2-4-13(9)21-14-8-7-12(18(20)22-17)15(11)16(10)14/h1-8H |
InChI Key: | CMDRTRYVGCWWHS-UHFFFAOYSA-N |
Boiling Point: | 562.4 ℃ at 760 mmHg |
Melting Point: | >300 ℃(lit.) |
Purity: | 95 % |
Density: | 1.544 g/cm3 |
LogP: | 3.64360 |
GHS Hazard Statement: | H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P310, P321, P330, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
EP-3274334-A1 | Cyanated benzoxanthene and benzothioxanthene compounds | 20150326 |
EP-3274334-B1 | Cyanated benzoxanthene and benzothioxanthene compounds | 20150326 |
JP-2018512418-A | Cyanated benzoxanthene and benzothioxanthene compounds | 20150326 |
KR-20170129766-A | Benzo xanthene and benzothioxanthene compounds | 20150326 |
TW-201708229-A | Cyanide benzoxanthene and benzothiophene compounds | 20150326 |
Complexity: | 515 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 288.04225873 |
Formal Charge: | 0 |
Heavy Atom Count: | 22 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 288.04225873 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 52.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.8 |
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