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Home> Encyclopedia > Hot Product Listed F   > Fluorescein
2321-07-5 structure

Fluorescein

Iupac Name:3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one
CAS No.:2321-07-5
EINECS(EC#): 219-031-8
Molecular Weight:332.31
Molecular Formula:C20H12O5 (isomer)
Names and Identifiers
Synonyms

Inchi
InChI=1S/C20H12O5/c21-11-5-7-15-17(9-11)24-18-10-12(22)6-8-16(18)20(15)14-4-2-1-3-13(14)19(23)25-20/h1-10,21-22H
InChkey
GNBHRKFJIUUOQI-UHFFFAOYSA-N
Canonical Smiles
C1=CC=C2C(=C1)C(=O)OC23C4=C(C=C(C=C4)O)OC5=C3C=CC(=C5)O
Properties
Appearance
orange-red crystalline powder
Density
1.2739 (rough estimate)
Melting Point
320 °C(lit.)
Boiling Point
429.44°C (rough estimate)
Refractive Index
1.5000 (estimate)
Flash Point
232.6 °C
Solubility
Insoluble in water
Color/Form
Red to orange
Stability
Stable. Combustible. Incompatible with strong oxidizing agents.
HS Code
3204200000
Storage temp
−20°C
Safety and Handling
Hazard Codes
Xi
Risk Statements
43-36-36/37/38
Safety Statements
22-24/25-37/39-26-36/37/39-27
Safety

Hazard Codes of Fluorescein (CAS NO.2321-07-5): IrritantXi
Risk Statements: 43-36/37/38 
R43: May cause sensitization by skin contact. 
R36/37/38: Irritating to eyes, respiratory system and skin.
Safety Statements: 22-24/25-26-36/37/39-27 
S22: Do not breathe dust. 
S24/25: Avoid contact with skin and eyes. 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36/37/39: Wear suitable protective clothing, gloves and eye/face protection. 
S27: Take off immediately all contaminated clothing.
WGK Germany: 3
RTECS: LM5075000
F: 10-21
Poison by intravenous route. Moderately toxic by intraperitoneal route. Mutation data reported. When heated to decomposition it emits acrid smoke and irritating fumes. See also FLUORESCEIN SODIUM.

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LDLo unreported 400mg/kg (400mg/kg)   "Abdernalden's Handbuch der Biologischen Arbeitsmethoden." Vol. 4, Pg. 1289, 1935.
man TDLo intravenous 7143nL/kg (7143mL/kg) GASTROINTESTINAL: NAUSEA OR VOMITING

SKIN AND APPENDAGES (SKIN): "DERMATITIS, OTHER: AFTER SYSTEMIC EXPOSURE"
American Journal of Ophthalmology. Vol. 126, Pg. 837, 1998.
mouse LD50 intravenous 300mg/kg (300mg/kg)   United States Patent Document. Vol. #4775625,
mouse LDLo unreported 600mg/kg (600mg/kg)   "Abdernalden's Handbuch der Biologischen Arbeitsmethoden." Vol. 4, Pg. 1289, 1935.
rabbit LDLo intravenous 300mg/kg (300mg/kg)   International Journal of Leprosy and Other Mycobacterial Diseases. Vol. 2, Pg. 257, 1934.
rat LDLo intraperitoneal 600mg/kg (600mg/kg)   International Journal of Leprosy and Other Mycobacterial Diseases. Vol. 2, Pg. 257, 1934.

PackingGroup
I; II; III
Report

Reported in EPA TSCA Inventory. EPA Genetic Toxicology Program.

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

Precursor and Product
Computational chemical data
  • Molecular Weight:332.31g/mol
  • Molecular Formula:C20H12O5
  • Compound Is Canonicalized:True
  • Exact Mass:332.068
  • Monoisotopic Mass:332.068
  • Complexity:522
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:5
  • Topological Polar Surface Area:76A^2
  • Heavy Atom Count:25
  • 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:1
  • CACTVS Substructure Key Fingerprint: AAADccB4OAAAAAAAAAAAAAAAAAAAASAAAAA0YMEAAAAAAEiRUAAAGgAACAAADESAmAAwDoAABgCI AiDSCAACCAAkIAAIiAEGCMgMJzKGNRqCeSClwBUIuYeK6PyOoAAACAAYAABAAAAQADAAAAAAAAAA AA==
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