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Home> Hot Product Listed D   > Dibenzofuran, 3-methyl-
63-37-6 structure

Dibenzofuran, 3-methyl-

Iupac Name:[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
CAS No.:63-37-6
Molecular Weight:323.2
Molecular Formula:C23H29NO8 (isomer)
Names and Identifiers
Synonyms

11-methyl-8-oxatricyclo[7.4.0.0(2),?]trideca-1(9),2,4,6,10,12-hexaene 1mvp2o51lo 3-Methyldibenzofuran 3-Methyldiphenylene oxide 5-methyl-8-oxatricyclo[7.4.0.0(2),?]trideca-1(9),2(7),3,5,10,12-hexaene einecs 230-790-4 FT-0699306 JBFNQSFELCVNBC-UHFFFAOYSA-N PL022456 SCHEMBL2628334 unii-1mvp2o51lo

Inchi
InChI=1S/C9H14N3O8P/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H2,10,11,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1
InChkey
IERHLVCPSMICTF-XVFCMESISA-N
Canonical Smiles
C1=CN(C(=O)N=C1N)C2C(C(C(O2)COP(=O)(O)O)O)O
Isomers Smiles
C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O
Properties
Density
1.283
Melting Point
~222 °C (dec.)
Boiling Point
°Cat760mmHg
Refractive Index
9.8 ° (C=1, 0.5mol/L Na2HPO4)
Flash Point
349.8°C
Safety and Handling
Risk Statements
20/21/22-36/37/38
Safety Statements
24/25-37/39-36-26
Transport
HAZARD
Reach Info
This substance has been officially registered by enterprises.
ECHA (EU chemicals Management Agency) published the completed registration file as follows:
Completed registration file:
Registered as ubmitted Total tonnage band  
FULL JOINT 10_100 view >
Registered companies:
Registrant / Supplier details Latest dossier received
more >
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Not classified.

2.2 GHS label elements, including precautionary statements

Pictogram(s) No symbol.
Signal word

No signal word.

Hazard statement(s)

none

Precautionary statement(s)
Prevention

none

Response

none

Storage

none

Disposal

none

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:323.2g/mol
  • Molecular Formula:C23H29NO8
  • Compound Is Canonicalized:True
  • XLogP3-AA:_3.4
  • Exact Mass:323.052
  • Monoisotopic Mass:323.052
  • Complexity:531
  • Rotatable Bond Count:4
  • Hydrogen Bond Donor Count:5
  • Hydrogen Bond Acceptor Count:8
  • Topological Polar Surface Area:175A^2
  • Heavy Atom Count:21
  • Defined Atom Stereocenter Count:4
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADccBzPAIAAAAAAAAAAAAAAAAAASAAAAAgAAAAAAAAAAAAAAAAHgAQCCAACBThgAYBAANABxCo QCJmdICAAAEAAgAIAAAYABCDEAIAgAAOQAAHFgITAADwMAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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