4',5'-Dinitrofluorescein
Basic information
- CAS
24545-86-6- Standard SMILES
O=C1OC2(c3ccccc31)c1ccc(O)c([N+](=O)[O-])c1Oc1c2ccc(O)c1[N+](=O)[O-]- InChIKey
RYCIBGACBRAXBM-UHFFFAOYSA-N- Molecular formula
- C20H10N2O9
- Average molar mass
- 422.3 g/mol
- Monoisotopic mass
- 422.0386299
Names & identifiers
- Preferred name
- 4',5'-Dinitrofluorescein
- IUPAC
- 3',6'-dihydroxy-4',5'-dinitrospiro[2-benzofuran-3,9'-xanthene]-1-one
- English name
- 4',5'-Dinitrofluorescein
- Molecular formula
- C20H10N2O9
- Molecular weight
- 422.3
Names & synonyms
4',5'-DINITROFLUORESCEIN3',6'-Dihydroxy-4',5'-dinitrospiro[isobenzofuran-1(3H),9'-[9H]xanthene]-3-one43N83DU7RA3',6'-dihydroxy-4',5'-dinitrospiro[2-benzofuran-3,9'-xanthene]-1-one3',6'-Dihydroxy-4',5'-dinitrospiro(isobenzofuran-1(3H),9'-(9H)xanthene)-3-one2-(6-HYDROXY-4,5-DINITRO-3-OXO-3H-XANTHEN-9-YL)BENZOIC ACIDBENZOIC ACID, 2-(6-HYDROXY-4,5-DINITRO-3-OXO-3H-XANTHEN-9-YL)-3',6'-DIHYDROXY-4',5'-DINITROSPIRO(2-BENZOFURAN-3,9'-XANTHENE)-1-ONERefChem:505875246-308-024545-86-6Solvent orange 16
Show more names
ci45396Eosine Acid 3GExt.D&C Orange No.2C.I. Solvent Orange 16Solvent Orange 16 (C.I.)C.I.Solvent Orange 16:C.I.45396
CI 453963',6'-dihydroxy-4',5'-dinitro-3h-spiro[2-benzofuran-1,9'-xanthen]-3-one3',6'-Dihydroxy-4',5'-dinitrospiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-oneSpiro(isobenzofuran-1(3H),9'-(9H)xanthen)-3-one, 3',6'-dihydroxy-4',5'-dinitro-spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 3',6'-dihydroxy-4',5'-dinitro-EINECS 246-308-0UNII-43N83DU7RASCHEMBL341938
Database identifiers
- CAS
24545-86-6- PubChem CID
- 90537
- DTXSID
DTXSID80179288- UNII
- 43N83DU7RA
- EC Number
- 246-308-0
- Nikkaji
- J79.241A
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 168 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 0
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 738
Experimental & physicochemical properties
CosmeticsCosmetic colorant
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Boiling point
- 654.2 · 654.2±55.0 °C(Predicted)
- Density
- 1.83 · 1.83±0.1 g/cm3(Predicted)
- pka
- 7.26 · 7.26±0.20(Predicted)
- Cosmetics Ingredients Functions
- COLORANT
- LogP
- 1.632 · 1.632 (est)
- FDA UNII
- 43 N83DU7RA · 43N83DU7RA
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H335-H315
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
- Hazard Codes
- Xi
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
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Hazard statements
- H319-H335-H315
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Uses & manufacturing
Use ClassificationCosmetics -> Cosmetic colorant
Applications
DescriptionCI 45396 is classed chemically as a xanthene colour.
Upstream & downstream products
Downstream products
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Related reactions
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Compound notes
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