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Home> Encyclopedia >   /  Food Additives  /  Phosphate  /  Other Inorganic Chemicals  /  Others  /  Pharmaceutical Intermediates
Benz[j]aceanthrylen-1-ol,1,2-dihydro-3-methyl-, hydrogen sulfate (9CI) structure
Benz[j]aceanthrylen-1-ol,1,2-dihydro-3-methyl-, hydrogen sulfate (9CI) structure

Benz[j]aceanthrylen-1-ol,1,2-dihydro-3-methyl-, hydrogen sulfate (9CI)

CAS No.:10124-56-8
Molecular Weight:611.770386
1. Names and Identifiers
1.1 Name
Benz[j]aceanthrylen-1-ol,1,2-dihydro-3-methyl-, hydrogen sulfate (9CI)
1.2 Synonyms

179073-71-3 1-Sulfooxy-1,2-dihydro-3-methylbenz[j]aceanthrylene 1-Sulfooxy-3-methylcholanthrene 3-Methyl-1,2-dihydrocyclopenta[ij]tetraphen-1-yl hydrogen sulfate CCRIS 7687 DTXSID70939176 Q27275994

1.3 CAS No.
10124-56-8
1.4 Molecular Formula
C9H10N2O2 (isomer)
1.5 Inchi
InChI=1/6Na.H6O18P6/c;;;;;;1-19(2)13-20(3,4)15-22(7,8)17-24(11,12)18-23(9,10)16-21(5,6)14-19/h;;;;;;(H,1,2)(H,3,4)(H,5,6)(H,7,8)(H,9,10)(H,11,12)/q6*+1;/p-6
2. 3D Conformer
3. Properties
3.1 Density
1.1
3.2 Melting Point
616 °C
3.3 Boiling Point
451.9°Cat760mmHg
3.4 Refractive Index
1.482
3.5 Flash Point
85.9°C
4. Safety and Handling
4.1 Safety Statements
S24/25
5. 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

6. Computational chemical data
  • Molecular Weight:611.770386g/mol
  • Molecular Formula:C9H10N2O2
  • Exact Mass:611.68965
  • Monoisotopic Mass:611.68965
  • Complexity:513
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:18
  • Topological Polar Surface Area:296
  • Heavy Atom Count:30
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:7
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