Basic information
- CAS
152-75-0- Standard SMILES
O=C(O)c1ccccc1-c1c2cc(Br)c(=O)c(Br)c-2oc2c(Br)c(O)c(Br)cc12- InChIKey
AZXGXVQWEUFULR-UHFFFAOYSA-N- Molecular formula
- C20H8Br4O5
- Average molar mass
- 647.9 g/mol
- Monoisotopic mass
- 643.71052
Overview
2',4',5',7'-tetrabromofluorescein is a xanthene dye that is fluorescein bearing bromine substituents at positions 2', 4', 5' and 7'. It is a monocarboxylic acid, an organobromine compound and a xanthene dye. It is a conjugate acid of a 2',4',5',7'-tetrabromofluorescein(2-).
Names & identifiers
- Preferred name
- 2-(2,4,5,7-Tetrabromo-6-hydroxy-3-oxo-3H-xanthen-9-yl)benzoic acid
- IUPAC
- 2-(2,4,5,7-tetrabromo-3-hydroxy-6-oxoxanthen-9-yl)benzoic acid
Names & synonyms
152-75-02-(2,4,5,7-Tetrabromo-6-hydroxy-3-oxo-3H-xanthen-9-yl)benzoic acidDTXSID8074651RefChem:1060737DTXCID1034923Red 212-(2,4,5,7-tetrabromo-3-hydroxy-6-oxoxanthen-9-yl)benzoic acidBenzoic acid, 2-(2,4,5,7-tetrabromo-6-hydroxy-3-oxo-3H-xanthen-9-yl)-CHEMBL376503548-26-52-(2,4,5,7-tetrabromo-3-hydroxy-6-oxo-xanthen-9-yl)benzoic acidNSC2087
Show more names
2-(2,4,5,7-tetrabromo-6-oxido-3-oxo-3H-xanthen-9-yl)benzoateCBChromo1_000099Probes1_000494Probes2_000049CBDivE_002995D+C Red N. 21SCHEMBL574248orb1985366
Database identifiers
- CAS
152-75-0、548-26-5- PubChem CID
- 11049
- DTXSID
DTXSID8074651- ChEMBL
CHEMBL376503- ChEBI
CHEBI:86277- EC Number
- 611-203-4
- Nikkaji
- J24.777D
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 83.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 848
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.
Warning
H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P203, P264+P265, P280, P305+P351+P338, P318, P337+P317, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationC.I. Acid red 87: Does not have an individual approval but may be used under an appropriate group standard
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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