Rose Bengal Sodium

HCID 32343
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Basic information

CAS
632-69-9
Standard SMILES
O=C([O-])c1c(Cl)c(Cl)c(Cl)c(Cl)c1-c1c2cc(I)c(=O)c(I)c-2oc2c(I)c([O-])c(I)cc12.[Na+].[Na+]
InChIKey
UWBXIFCTIZXXLS-UHFFFAOYSA-L
Molecular formula
C20H2Cl4I4Na2O5
Average molar mass
1,017.6 g/mol

Overview

See also: Rose Bengal AT (has active moiety).

Names & identifiers

Preferred name
Rose Bengal Sodium
IUPAC
disodium;2,3,4,5-tetrachloro-6-(2,4,5,7-tetraiodo-3-oxido-6-oxoxanthen-9-yl)benzoate

Names & synonyms

Rose bengal sodiumRose bengal extraRose Bengal disodiumBengal Rose B sodium saltJapan red 105-1Red no. 105-1Aka105(1)DTXSID4022814DTXCID702814SODIUM TETRAIODOTETRACHLOROFLUORESCEIN956575SN5L2',4',5',7'-TETRAIODO-3,4,5,6-TETRACHLOROFLUORESCEIN DISODIUM SALT
Show more names
3',4',5',6'-TETRACHLORO-2,4,5,7-TETRAIODOFLUORESCEIN DISODIUM SALTROSE BENGAL SODIUM (MART.)ROSE BENGAL SODIUM [MART.]DISODIUM SALT OF 4,5,6,7-TETRACHLORO-2',4',5',7'-TETRAIODOFLUORESCEINSPIRO(ISOBENZOFURAN-1(3H), 9'-(9H)XANTHEN)-3-ONE, 4,5,6,7-TETRACHLORO-3',6'-DIHYDROXY-2',4',5',7'-TETRAIODO-, DISODIUM SALTRefChem:559874,5,6,7-Tetrachloro-2',4',5',7'-Tetraiodofluorescein Disodium211-183-3

Database identifiers

CAS
632-69-9
PubChem CID
32343
ChEMBL
CHEMBL2359093
UNII
956575SN5L
EC Number
211-183-3
Nikkaji
J705.915I

Properties

Computed structural propertiesFilling in

Topological polar surface area
89.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
1
Heavy atoms
35

Safety & regulation

GHS classification

GHS Classification · 5 items

This chemical does not meet GHS hazard criteria for 89.5% (68 of 76) of all reports.

Warning

H319 (10.5%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)

Aggregated GHS information provided per 76 reports by companies from 5 notifications to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesEye Irrit. 2A (10.5%)

Chemistry & industry

Pharmacology

ATC Code · 2 items

S - Sensory organs

QS - Sensory organs

Related reactions

1 records
New reaction record

Compound notes

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