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Home> Hot Product Listed S   > Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one,2',4',5'-tribromo-3',6'-dihydroxy-
590-46-5 structure

Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one,2',4',5'-tribromo-3',6'-dihydroxy-

Iupac Name:carboxymethyl(trimethyl)azanium;chloride
CAS No.:590-46-5
Molecular Weight:153.606
Molecular Formula:C11H19NO2 (isomer)
Names and Identifiers
Synonyms

2',4',5'-Tribromofluorescein 2,4,5-Tribromofluorescein Fluorescein,2',4',5'-tribromo- (6CI,7CI)

Inchi
InChI=1S/C5H11NO2.ClH/c1-6(2,3)4-5(7)8;/h4H2,1-3H3;1H
InChkey
HOPSCVCBEOCPJZ-UHFFFAOYSA-N
Canonical Smiles
C[N+](C)(C)CC(=O)O.[Cl-]
Properties
Melting Point
241-242℃
HS Code
29239000
Safety and Handling
Risk Statements
R36
Safety Statements
S24/25
Transport
25kgs
Reach Info
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Eye irritation, Category 2

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H319 Causes serious eye irritation

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

P280 Wear protective gloves/protective clothing/eye protection/face protection.

Response

P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.

P337+P313 If eye irritation persists: Get medical advice/attention.

Storage

none

Disposal

none

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:153.606g/mol
  • Molecular Formula:C11H19NO2
  • Compound Is Canonicalized:True
  • Exact Mass:153.056
  • Monoisotopic Mass:153.056
  • Complexity:93.1
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:37.3A^2
  • Heavy Atom Count:9
  • 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:2
  • CACTVS Substructure Key Fingerprint: AAADccBiMAAEAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAHgAACAAAAADBgAQCCAMAAgAI AACQCAAAAAAAAAAAAACIAAACAAAAACAAAAAAAAAQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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