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2,7-Naphthalenedisulfonic acid, 4-hydroxy-3-[2-(2-sulfophenyl)diazenyl]-5-[(2,5,6-trichloro-4-pyrimidinyl)amino]-, sodium salt (1:3)

HCID 85107
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Basic information

CAS
15792-41-3
Standard SMILES
O=S(=O)([O-])c1cc(Nc2nc(Cl)nc(Cl)c2Cl)c2c(O)c(N=Nc3ccccc3S(=O)(=O)[O-])c(S(=O)(=O)[O-])cc2c1.[Na+].[Na+].[Na+]
InChIKey
ZHDFKPUCUYZGGM-UHFFFAOYSA-K
Molecular formula
C20H9Cl3N5Na3O10S3
Average molar mass
750.8 g/mol
Monoisotopic mass
748.827021

Names & identifiers

Preferred name
2,7-Naphthalenedisulfonic acid, 4-hydroxy-3-[2-(2-sulfophenyl)diazenyl]-5-[(2,5,6-trichloro-4-pyrimidinyl)amino]-, sodium salt (1:3)
IUPAC
trisodium;4-hydroxy-3-[(2-sulfonatophenyl)diazenyl]-5-[(2,5,6-trichloropyrimidin-4-yl)amino]naphthalene-2,7-disulfonate
English name
trisodium 4-hydroxy-3-[(2-sulphonatophenyl)azo]-5-[(2,5,6-trichloropyrimidin-4-yl)amino]naphthalene-2,7-disulphonate
Molecular formula
C20H9Cl3N5Na3O10S3
Molecular weight
750.83627

Names & synonyms

DTXSID308896482,7-Naphthalenedisulfonic acid, 4-hydroxy-3-(2-(2-sulfophenyl)diazenyl)-5-((2,5,6-trichloro-4-pyrimidinyl)amino)-, sodium salt (1:3)2,7-Naphthalenedisulfonic acid, 4-hydroxy-3-[2-(2-sulfophenyl)diazenyl]-5-[(2,5,6-trichloro-4-pyrimidinyl)amino]-, sodium salt (1:3)Trisodium 4-hydroxy-3-((2-sulphonatophenyl)azo)-5-((2,5,6-trichloropyrimidin-4-yl)amino)naphthalene-2,7-disulphonateTrisodium 4-hydroxy-3-[(2-sulphonatophenyl)azo]-5-[(2,5,6-trichloropyrimidin-4-yl)amino]naphthalene-2,7-disulphonateRefChem:446258DTXCID101031120239-892-315792-41-3Reactone red 2B2,7-Naphthalenedisulfonic acid, 4-hydroxy-3-[(2-sulfophenyl)azo]-5-[(2,5,6-trichloro-4-pyrimidinyl)amino]-, trisodium saltEINECS 239-892-3
Show more names
C.I.18155REACTIVERED17C.I.Reactive Red 17Drimarene Red Z 2B,78%C.I.Reactive Red 17:C.I.18155Drimarene Red Z 2B, 78% (HPLC)Trisodium 4-hydroxy-3-[(2-sulfonatophenyl)azo]-5-[(2,5,6-trichloropyrimidin-4-yl)amino]naphthalene-2,7-disulfonate
2,7-Naphthalenedisulfonic acid, 4-hydroxy-3-((2-sulfophenyl)azo)-5-((2,5,6-trichloro-4-pyrimidinyl)amino)-, trisodium saltQHLGVEAPRHMPRJ-XAULVQKOSA-KNS00053926Trisodium 4-hydroxy-3-[(2-sulfonatophenyl)diazenyl]-5-[(2,5,6-trichloropyrimidin-4-yl)amino]naphthalene-2,7-disulfonate

Database identifiers

CAS
15792-41-3
PubChem CID
85107
DTXSID
DTXSID30889648
EC Number
239-892-3

Properties

Computed structural properties

Topological polar surface area
280 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
15
Rotatable bonds
4
Heavy atoms
44
Formal charge
0
Complexity
1,250

Physicochemical properties

EPA Substance Registry System
2 · 2,7-Naphthalenedisulfonic acid, 4-hydroxy-3-[(2-sulfophenyl)azo]-5-[(2,5,6-trichloro-4-pyrimidinyl)amino]-, trisodium salt (15792-41-3)
Hazard statements
317 · H317
Precautionary statements
261 · P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
TSCA
TSCA listed

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

GHS classification

GHS Classification · 4 items

Warning

H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]

P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesSkin Sens. 1 (100%)

Safety data

tsca
TSCA listed
Hazard statements
H317
Precautionary statements
P261-P272-P280-P302+P352-P333+P313-P321-P363-P501

Chemistry & industry

Uses & manufacturing

General Manufacturing Information2,7-Naphthalenedisulfonic acid, 4-hydroxy-3-[2-(2-sulfophenyl)diazenyl]-5-[(2,5,6-trichloro-4-pyrimidinyl)amino]-, sodium salt (1:3): INACTIVE

Preparation methods

Preparation2-Aminobenzenesulfonic acid diazo, in alkaline conditions and 4-Amino-5-hydroxynaphthalene-2,7-disulfonic acidcoupling, again with 1 Moore’s Perchloropyrimidinecondensation.

Upstream & downstream products

Upstream raw materials

Aniline-2-sulfonic acid2,4,5,6-Tetrachloropyrimidine8-Amino-1-naphthol-3,6-disulfonic acid monosodium salt monohydrate

Related reactions

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Compound notes

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