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Pigment Red 48:4

CAT: 0931-T40609Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T40609Size:25 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
5280-66-0
Target
Others
Related Pathways
Others
Bioactivity
Pigment Red 48:4 is a manganese-complex dye suitable for use in printing inks and paint systems.
Smiles
[H+].Cc1cc2c(cc1Cl)N=[N]1[Mn++]([O-]c3c1c1ccccc1cc3C([O-])=O)[O-]S2(=O)=O |c:9,^1:10|
Molecular Formula
C18H11ClMnN2O6S
Molecular Weight
473.74
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2-Naphthalenecarboxylic acid, 4-[(5-chloro-4-methyl-2-sulfophenyl)azo]-3-hydroxy-

See also: C.I. Pigment Red 48:4 (annotation moved to) ... View More ...

CAS Number5280-66-0
PubChem CID62503
IUPAC Name4-[(5-chloro-4-methyl-2-sulfophenyl)diazenyl]-3-hydroxynaphthalene-2-carboxylic acid
Molecular FormulaC18H13ClN2O6S
Molecular Weight420.8
XLogP4.4
Topological Polar Surface Area145
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Heavy Atom Count28
Formal Charge0
Complexity711
SMILES
CC1=CC(=C(C=C1Cl)N=NC2=C(C(=CC3=CC=CC=C32)C(=O)O)O)S(=O)(=O)O
InChI
InChI=1S/C18H13ClN2O6S/c1-9-6-15(28(25,26)27)14(8-13(9)19)20-21-16-11-5-3-2-4-10(11)7-12(17(16)22)18(23)24/h2-8,22H,1H3,(H,23,24)(H,25,26,27)
InChIKey
LZNMMJSXOXXHFD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Naphthalenecarboxylic acid, 4-[(5-chloro-4-methyl-2-sulfophenyl)azo]-3-hydroxy-
CAS: 5280-66-0
CID: 62503
Formula: C18H13ClN2O6S
MW: 420.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight420.8
XLogP34.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Exact Mass420.0182850
Monoisotopic Mass420.0182850
Topological Polar Surface Area145 Ų
Heavy Atom Count28
Formal Charge0
Complexity711
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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