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C.I.Reactive Black 5 (Technical Grade)

CAT: 0572-TRC-C225185-1GSize: 1 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-C225185-1GSize:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
17095-24-8
Hazard Statement
Causes serious eye damage
Smiles
[Na+].[Na+].[Na+].[Na+].Nc1c(N=Nc2ccc(cc2)S(=O)(=O)CCOS(=O)(=O)[O-])c(cc3cc(c(N=Nc4ccc(cc4)S(=O)(=O)CCOS(=O)(=O)[O-])c(O)c13)S(=O)(=O)[O-])S(=O)(=O)[O-]
Molecular Formula
C26 H21 N5 O19 S6 . 4 Na
Molecular Weight
991.82
InChI
InChI=1S/C26H25N5O19S6.4Na/c27-23-22-15(13-20(53(37,38)39)24(23)30-28-16-1-5-18(6-2-16)51(33,34)11-9-49-55(43,44)45)14-21(54(40,41)42)25(26(22)32)31-29-17-3-7-19(8-4-17)52(35,36)12-10-50-56(46,47)48;;;;/h1-8,13-14,32H,9-12,27H2,(H,37,38,39)(H,40,41,42)(H,43,44,45)(H,46,47,48);;;;/q;4*+1/p-4/b30-28+,31-29+;;;;
Additionnal Information
IUPAC name: tetrasodium;4-amino-5-hydroxy-3,6-bis[(E)-[4-(2-sulfonatooxyethylsulfonyl)phenyl]diazenyl]naphthalene-2,7-disulfonate
Shipping Conditions
Room Temperature
Storage Conditions
+20°C

Chemical Information

C.I. Reactive Black 5

Remazole black-GR is a bis(azo) compound with two aryldiazenyl moieties placed at positions 2 and 7 of a multi-substituted naphthalene. It has a role as a dye. It is a sulfone, an organic sodium salt and a bis(azo) compound. It contains a remazole black-GR (4-).

CAS Number17095-24-8
PubChem CID135442967
IUPAC Nametetrasodium;4-amino-5-hydroxy-3,6-bis[[4-(2-sulfonatooxyethylsulfonyl)phenyl]diazenyl]naphthalene-2,7-disulfonate
Molecular FormulaC26H21N5Na4O19S6
Molecular Weight991.8
Topological Polar Surface Area462
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count24
Rotatable Bond Count12
Heavy Atom Count60
Formal Charge0
Complexity2030
SMILES
C1=CC(=CC=C1N=NC2=C(C3=C(C(=C(C=C3C=C2S(=O)(=O)[O-])S(=O)(=O)[O-])N=NC4=CC=C(C=C4)S(=O)(=O)CCOS(=O)(=O)[O-])N)O)S(=O)(=O)CCOS(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]
InChI
InChI=1S/C26H25N5O19S6.4Na/c27-23-22-15(13-20(53(37,38)39)24(23)30-28-16-1-5-18(6-2-16)51(33,34)11-9-49-55(43,44)45)14-21(54(40,41)42)25(26(22)32)31-29-17-3-7-19(8-4-17)52(35,36)12-10-50-56(46,47)48;;;;/h1-8,13-14,32H,9-12,27H2,(H,37,38,39)(H,40,41,42)(H,43,44,45)(H,46,47,48);;;;/q;4*+1/p-4
InChIKey
HFIYIRIMGZMCPC-UHFFFAOYSA-J
Chemical Structure
2D Structure
2D structure of C.I. Reactive Black 5
CAS: 17095-24-8
CID: 135442967
Formula: C26H21N5Na4O19S6
MW: 991.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight991.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count24
Rotatable Bond Count12
Exact Mass990.8745776
Monoisotopic Mass990.8745776
Topological Polar Surface Area462 Ų
Heavy Atom Count60
Formal Charge0
Complexity2030
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count5
Compound Is CanonicalizedYes

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