Reactive Red 2

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CAS Number

17804-49-8

Synonyms

Disodium;5-[ (4,6-dichloro-1,3,5-triazin-2-yl) amino]-4-hydroxy-3-phenyldiazenylnaphthalene-2,7-disulfonate

Purity

Strength:100%

Smiles

C1=CC=C(C=C1)N=NC2=C(C3=C(C=C(C=C3C=C2S(=O)(=O)[O-])S(=O)(=O)[O-])NC4=NC(=NC(=N4)Cl)Cl)O.[Na+].[Na+]

Chemical Information

C.I. Reactive Red 2

Procion red MX-5B is a 2,4-dichloro-1,3,5-triazine with a multi-substituted napthalen-1-ylamino substituent at the 6-position. It has a role as a dye. It is a chloro-1,3,5-triazine and a monoazo compound.

CAS Number	17804-49-8
PubChem CID	28781
IUPAC Name	disodium;5-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-4-hydroxy-3-phenyldiazenylnaphthalene-2,7-disulfonate
Molecular Formula	C19H10Cl2N6Na2O7S2
Molecular Weight	615.3
Topological Polar Surface Area	227
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	13
Rotatable Bond Count	4
Heavy Atom Count	38
Formal Charge	0
Complexity	968

SMILES

C1=CC=C(C=C1)N=NC2=C(C3=C(C=C(C=C3C=C2S(=O)(=O)[O-])S(=O)(=O)[O-])NC4=NC(=NC(=N4)Cl)Cl)O.[Na+].[Na+]

InChI

InChI=1S/C19H12Cl2N6O7S2.2Na/c20-17-23-18(21)25-19(24-17)22-12-8-11(35(29,30)31)6-9-7-13(36(32,33)34)15(16(28)14(9)12)27-26-10-4-2-1-3-5-10;;/h1-8,28H,(H,29,30,31)(H,32,33,34)(H,22,23,24,25);;/q;2*+1/p-2

InChIKey

XWZDJOJCYUSIEY-UHFFFAOYSA-L

Chemical Structure

2D Structure

CAS: 17804-49-8

CID: 28781

Formula: C19H10Cl2N6Na2O7S2

MW: 615.3

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	615.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	13
Rotatable Bond Count	4
Exact Mass	613.9224830
Monoisotopic Mass	613.9224830
Topological Polar Surface Area	227 Å²
Heavy Atom Count	38
Formal Charge	0
Complexity	968
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	3
Compound Is Canonicalized	Yes

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Reactive Red 2

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