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Home> Hot Product Listed S   > sorboflavin
65-46-3 structure

sorboflavin

CAS No.:65-46-3
Molecular Weight:243.21662
Molecular Formula: (isomer)
Names and Identifiers
Synonyms

D-Glucitol, 1-deoxy-1-(3,4-dihydro-7,8-dimethyl-2,4-dioxobenzo(G)pteridin-10(2H)-yl)-

Inchi
InChI=1/C9H13N3O5/c10-5-1-2-12(9(16)11-5)8-7(15)6(14)4(3-13)17-8/h1-2,4,6-8,13-15H,3H2,(H2,10,11,16)/t4-,6-,7-,8-/m1/s1
Canonical Smiles
C1=CN(C(=O)N=C1N)C2C(C(C(O2)CO)O)O
Properties
Density
1.41
Melting Point
210-217℃
Boiling Point
364.2°Cat760mmHg
Refractive Index
34 ° (C=0.7, H2O)
Flash Point
212.6°C
Alpha
31.5 o (C=0.6, H2O 25 oC)
Safety and Handling
Risk Statements
R68
Safety Statements
S24/25
Transport
HAZARD
Reach Info
Globally, no enterprise has officially registered the substance REACH.
Other official information: ·ECHA Information Page for CAS: 65-46-3 EC: sorboflavin ·ECHA C&L Inventory for CAS: CAS: 65-46-3 EC: sorboflavin
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:243.21662g/mol
  • Molecular Formula:
  • XLogP3-AA:_2.1
  • Exact Mass:243.085521
  • Monoisotopic Mass:243.085521
  • Complexity:383
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:4
  • Hydrogen Bond Acceptor Count:5
  • Topological Polar Surface Area:129
  • Heavy Atom Count:17
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:4
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
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