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Home> Hot Product Listed 3   > 3-BROMOMETHYL-2-PHTHALIMIDO-PYRIDINE
9004-54-0 structure

3-BROMOMETHYL-2-PHTHALIMIDO-PYRIDINE

Iupac Name:2,3,4,5-tetrahydroxy-6-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyhexanal
CAS No.:9004-54-0
Molecular Weight:504.438
Molecular Formula:CMGO3 (isomer)
Names and Identifiers
Synonyms

2-(3-bromomethyl-pyridin-2-yl)-isoindole-1,3-dione 2215AJ PZQWWGXBCQGCFF-UHFFFAOYSA-N SCHEMBL2019546

Inchi
InChI=1S/C18H32O16/c19-1-5(21)9(23)10(24)6(22)3-31-17-16(30)14(28)12(26)8(34-17)4-32-18-15(29)13(27)11(25)7(2-20)33-18/h1,5-18,20-30H,2-4H2
InChkey
FZWBNHMXJMCXLU-UHFFFAOYSA-N
Canonical Smiles
C(C1C(C(C(C(O1)OCC2C(C(C(C(O2)OCC(C(C(C(C=O)O)O)O)O)O)O)O)O)O)O)O
Properties
Melting Point
-114.22 deg C
Refractive Index
185 ° (C=6, H2O)
Alpha
198 o
Safety and Handling
Risk Statements
R20/21/22
Safety Statements
S24/25
Hazard Note
H373; H411
Reach Info
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:504.438g/mol
  • Molecular Formula:CMGO3
  • Compound Is Canonicalized:True
  • Exact Mass:504.169
  • Monoisotopic Mass:504.169
  • Complexity:625
  • Rotatable Bond Count:11
  • Hydrogen Bond Donor Count:11
  • Hydrogen Bond Acceptor Count:16
  • Topological Polar Surface Area:277A^2
  • Heavy Atom Count:34
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:14
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADcfB4PgAAAAAAAAAAAAAAAAAAAAAAAAAkSAAAAAAAAAAAAAAAGgAACAAACBSwgAMACAAABgAI AAgQgAIAAAAAAAAAAAFAAAAREBYAAAAiQAAFIAAHAAHKbAxAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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