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Phenolphthalein Diphosphate Sodium Salt

CAT: 0286-P07000Size: 5 gDry Ice: NoHazardous: No
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CAT#:0286-P07000Size:5 g
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CAS Number
68807-90-9
Pictogram
07 - Irritant
UDF Signal Word
Warning
MDL Number
MFCD00005907
Hazard Statement
H302 Harmful if swallowed; H312 Harmful in contact with skin; H315 Causes skin irritation; H320 Causes eye irritation; H332 Harmful if inhaled.
Precautions
P280 Wear protective gloves/protective clothing/eye protection/face protection; P301+P312 IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell; P302+P352 IF ON SKIN: wash with plenty of soap and water; P304+P340 IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing; P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing; P332+P313 IF SKIN irritation occurs: Get medical advice/attention.

Chemical Information

Tetrasodium isobenzofuran-3,3-diylbis(p-phenylene) bis(phosphate)
CAS Number68807-90-9
PubChem CID3085390
IUPAC Nametetrasodium;[4-[3-oxo-1-(4-phosphonatooxyphenyl)-2-benzofuran-1-yl]phenyl] phosphate;dihydrate
Molecular FormulaC20H16Na4O12P2
Molecular Weight602.2
Topological Polar Surface Area173
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count12
Rotatable Bond Count4
Heavy Atom Count38
Formal Charge0
Complexity708
SMILES
C1=CC=C2C(=C1)C(=O)OC2(C3=CC=C(C=C3)OP(=O)([O-])[O-])C4=CC=C(C=C4)OP(=O)([O-])[O-].O.O.[Na+].[Na+].[Na+].[Na+]
InChI
InChI=1S/C20H16O10P2.4Na.2H2O/c21-19-17-3-1-2-4-18(17)20(28-19,13-5-9-15(10-6-13)29-31(22,23)24)14-7-11-16(12-8-14)30-32(25,26)27;;;;;;/h1-12H,(H2,22,23,24)(H2,25,26,27);;;;;2*1H2/q;4*+1;;/p-4
InChIKey
QYFYAAPDTZOYPC-UHFFFAOYSA-J
Chemical Structure
2D Structure
2D structure of Tetrasodium isobenzofuran-3,3-diylbis(p-phenylene) bis(phosphate)
CAS: 68807-90-9
CID: 3085390
Formula: C20H16Na4O12P2
MW: 602.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight602.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count12
Rotatable Bond Count4
Exact Mass601.97077706
Monoisotopic Mass601.97077706
Topological Polar Surface Area173 Ų
Heavy Atom Count38
Formal Charge0
Complexity708
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count7
Compound Is CanonicalizedYes

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