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Pontacyl Carmine 2b (Technical Grade)

CAT: 0572-TRC-A521128-2.5GSize: 2.5 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-A521128-2.5GSize:2.5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
6625-46-3
Synonyms
5-(acetylamino)-4-hydroxy-3-[2-(2-methoxyphenyl)diazenyl]-2,7-Naphthalenedisulfonic acid sodium salt; 5-(acetylamino)-4-hydroxy-3-[(2-methoxyphenyl)azo]-2,7-Naphthalenedisulfonic acid disodium salt; C.I. Acid Violet 12, disodium salt; Acid Brilliant Red 2B; Acid Red 10B; Acid Red R; Acid Violet 12; Amido Brilliant Red BBA; Amido Naphthol Red 2B; Amido Naphthol Red A2B; Azo Brilliant Rhodine 4B; C.I. 18075; C.I. Acid Violet 12; Cetil Light Red BB; Colocid Red 4B; Concorde Acid Carmine 4BA; Concorde Leather Red NBL; Covanyl Rose 3B; Eniacid Light Red A 2B; Fabracid Carmine S 4B; Fenazo Red XB; Kiton Brilliant Carmine 2B; NSC 47711; Naphthazine Rose 3B; Simacid Red 24908; Triacid Brilliant Red 2B
Hazard Statement
No Data Available
Smiles
[Na+].[Na+].COc1ccccc1N=Nc2c(O)c3c(NC(=O)C)cc(cc3cc2S(=O)(=O)[O-])S(=O)(=O)[O-]
Molecular Formula
C19H15N3Na2O9S2
Molecular Weight
539.44
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

2,7-Naphthalenedisulfonic acid, 5-(acetylamino)-4-hydroxy-3-[2-(2-methoxyphenyl)diazenyl]-, sodium salt (1:2)

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CAS Number6625-46-3
PubChem CID82167
IUPAC Namedisodium;5-acetamido-4-hydroxy-3-[(2-methoxyphenyl)diazenyl]naphthalene-2,7-disulfonate
Molecular FormulaC19H15N3Na2O9S2
Molecular Weight539.5
Topological Polar Surface Area214
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count11
Rotatable Bond Count4
Heavy Atom Count35
Formal Charge0
Complexity918
SMILES
CC(=O)NC1=C2C(=CC(=C1)S(=O)(=O)[O-])C=C(C(=C2O)N=NC3=CC=CC=C3OC)S(=O)(=O)[O-].[Na+].[Na+]
InChI
InChI=1S/C19H17N3O9S2.2Na/c1-10(23)20-14-9-12(32(25,26)27)7-11-8-16(33(28,29)30)18(19(24)17(11)14)22-21-13-5-3-4-6-15(13)31-2;;/h3-9,24H,1-2H3,(H,20,23)(H,25,26,27)(H,28,29,30);;/q;2*+1/p-2
InChIKey
UDMXIGPLHJOQKB-UHFFFAOYSA-L
Chemical Structure
2D Structure
2D structure of 2,7-Naphthalenedisulfonic acid, 5-(acetylamino)-4-hydroxy-3-[2-(2-methoxyphenyl)diazenyl]-, sodium salt (1:2)
CAS: 6625-46-3
CID: 82167
Formula: C19H15N3Na2O9S2
MW: 539.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight539.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count11
Rotatable Bond Count4
Exact Mass539.00450998
Monoisotopic Mass539.00450998
Topological Polar Surface Area214 Ų
Heavy Atom Count35
Formal Charge0
Complexity918
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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