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C.I. 45380

CAS: 17372-87-1 | C20H8Br4Na2O5

2D Structure

3D Structure

Loading 3D structure...

Basic Information

CAS Registry Number: 17372-87-1
Molecular Formula: C20H8Br4Na2O5
Molecular Weight: 693.8750000000001 g/mol

Names and Synonyms:

C.I. 45380
Aizen Eosine GH
Bromo B
Eosin Y
Orient Water Red 2
Spiro[isobenzofuran-1(3H),9′-[9H]xanthen]-3-one, 2′,4′,5′,7′-tetrabromo-3′,6′-dihydroxy-, sodium salt (1:2)
Fluorescein, 2′,4′,5′,7′-tetrabromo-, disodium salt
Spiro[isobenzofuran-1(3H),9′-[9H]xanthen]-3-one, 2′,4′,5′,7′-tetrabromo-3′,6′-dihydroxy-, disodium salt
Eosin Yellowish
Eosin
Eosine A
Eosine G
Eosine Yellowish
Eosine YS
11731 Red
Bromo X 100
Bromo 4D
Bromo 4DC
Bromo 4DL
Eosin Y
Eosine J
Eosine w/s
Eosine Y
Eosine 3G
Eosine 3Y
Eosine K Salt Free
Tetrabromofluorescein S
D and C Red No. 22
Eosine
Eosine sodium salt
C.I. Acid Red 87
Tetrabromofluorescein
11445 Red
Bromoeosine
Bromo FL
Bromofluoresceic acid
Bromofluorescein
Bromo JPS
Bromo TS
Bromo XX
Bronze Bromo
Certiqual Eosine
Eosine BPC
Eosine BS
Eosine BS-SF
Eosine DA
Eosine DWC 73
Eosine Extra Conc. A. Export
Eosine FA
Eosine GF
Eosine Lake Red Y
Eosine OJ
Eosine Salt Free
Eosine YB
Eosin YS
Fenazo Eosine XG
Hidacid Boiling Bromo
Hidacid Bromo acid regular
Hidacid Dibromo Fluorescein
Hidacid Eosine Soda Salt
Hidacid White Bromo
Irgalite Bronze Red CL
Phloxine Red 20-7600
Phloxine Toner B
Phlox Red Toner X 1354
Pure Eosine YY
Symuler Eosin Toner
Tetrabromofluorescein D
Tetrabromofluorescein soluble
Toyo Eosine G
1903 Yellow Pink
Sodium eosine
Eosine S 13
Eosin yellow
Sodium eosinate
Bromo acid
Disodium eosin
Eosine sodium
Eosine S
Acid Red 87
Eosine water-soluble
Sodium eosin
Eosine Extra Yellowish
Eosine K
Food Red 103
Red 103
Eosine Yellow
Water Red 2
Japan Red 103
Red No. 103
Japan Red No. 103
Morning red
Dawn red
Eosine GH
Basacid Red 316
Eosin A
D&C Red No. 22
Japan Red 230-1
Japan Red No. 230-1
Red No. 230-1
Eosin OJ
D&C Red 22
Chugai Ink Red AM 5
Daiwa Red 103WB
Japan Red 230-2
Neelicol Eosine
D&C Red No. 22-90133
Acid Red 87-39014
Triacid Eosine
Eosine AG
ABCO Eosin
Abbey Eosin
Silk Discharge Orange 3R
Eosine SSO
Eosine Y 90133
Simacid Eosine Y
Aizen Eosine
Orient Watger Red 2
Vicoacid Eosine
Cogilor Orange 212.10
Eosin Y 17255
Conacid Red ML
Dycosweak Acid Red A
Dinacid Eosine Red
Red 17255
Aizen Eosine GH 35%-L
Shuhong
Eosin G
Field's stain solution B
Field's stan B
Field stain B
Field stain solution B

Identifiers:

SMILES:
O=C1OC2(c3ccccc31)c1cc(Br)c(O)c(Br)c1Oc1c2cc(Br)c(O)c1Br.[Na].[Na]
InChI:
InChI=1S/C20H8Br4O5.2Na/c21-11-5-9-17(13(23)15(11)25)28-18-10(6-12(22)16(26)14(18)24)20(9)8-4-2-1-3-7(8)19(27)29-20;;/h1-6,25-26H;;

Spectral Data

NMR, IR, and Mass spectral data

1H NMR
13C NMR
Predicting NMR spectra...
10 ppm 9 8 7 6 5 4 3 2 1 0 ppm
Shift (ppm) Multiplicity Integration Assignment
200 ppm 180 160 140 120 100 80 60 40 20 0 ppm
Shift (ppm) DEPT Assignment

Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.

External Resources

All Properties

Comprehensive physical and chemical properties

Physical Properties

Property Value Source
molecular_mass 693.88 g/mol Legacy Database
wikipedia_url https://en.wikipedia.org/wiki/Eosin_Y None Legacy Database
cas-canonical-smile [Na].O=C1OC2(C=3C=CC=CC13)C4=CC(Br)=C(O)C(Br)=C4OC5=C(Br)C(O)=C(Br)C=C52 None Legacy Database
cas-inchi InChI=1S/C20H8Br4O5.2Na/c21-11-5-9-17(13(23)15(11)25)28-18-10(6-12(22)16(26)14(18)24)20(9)8-4-2-1-3-7(8)19(27)29-20;;/h1-6,25-26H;; None Legacy Database
cas-inchi-key InChIKey=WUMPFXDWXTYERP-UHFFFAOYSA-N None Legacy Database
cas-melting-point 295.5 °C None Legacy Database
cas-name Eosin None Legacy Database
wikipedia-name Eosin Y None Legacy Database
LogP 5.954200000000004 RDKit

Molecular

Property Value Source
Molecular Weight 693.8750000000001 g/mol RDKit

Exact

Property Value Source
Exact Molecular Weight 689.6900603160001 g/mol RDKit

Heavy

Property Value Source
Heavy Atom Count 31 count RDKit

Hydrogen

Property Value Source
Hydrogen Bond Acceptors 5 count RDKit
Hydrogen Bond Donors 2 count RDKit

Rotatable

Property Value Source
Rotatable Bonds 0 count RDKit

Aromatic

Property Value Source
Aromatic Ring Count 3 count RDKit

Topological

Property Value Source
Topological Polar Surface Area 75.99000000000001 Ų RDKit

Molar

Property Value Source
Molar Refractivity 130.3351 RDKit

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