Sulforhodamine B

C27H29N2NaO7S2CAS 3520-42-1580.65 g/mol

Open in Covalent MOL file
NO+NSO−OOSO−OONa+
Sulfonic acidTertiary amine

Properties

Molecular formula
C27H29N2NaO7S2
Molar mass
580.65 g/mol
Exact mass
580.1314 Da
logP
5.00Crippen estimate
Polar surface area
129.3 Ų
H-bond donors / acceptors
1 / 7
Rotatable bonds
9

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
3520-42-1
SMILES
CCN(CC)c1ccc2c(c1)[o+]c1cc(N(CC)CC)ccc1c2-c1ccc(S([O-])(=O)=O)cc1S([O-])(=O)=O.[Na+]
InChI

The InChI we hold for this record describes the parent acid and the metal separately rather than the salt above, so it is not shown here.

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

83 names · show all
  • Xanthylium, 3,6-bis(diethylamino)-9-(2,4-disulfophenyl)-, inner salt, sodium salt (1:1)
  • C.I. Acid red 52
  • Ammonium, [6-(diethylamino)-9-(2,4-disulfophenyl)-3H-xanthen-3-ylidene]diethyl-, hydroxide, inner salt, sodium salt
  • Xanthylium, 3,6-bis(diethylamino)-9-(2,4-disulfophenyl)-, hydroxide, inner salt, sodium salt
  • Xanthylium, 3,6-bis(diethylamino)-9-(2,4-disulfophenyl)-, inner salt, sodium salt
  • C.I. 45100
  • Acid leather red KB
  • Acid red XB
  • Acid rhodamine B
  • Aizen food red no. 106
  • Amacid rhodamine B
  • Brilliant acid rhodamine B
  • Brilliant superlan rhodamine B
  • Brilliant superlan rhodamine 2B
  • Erio acid red XB
  • Fenazo pink XXB
  • Kiton rhodamine B
  • Lissamine rhodamine B
  • Pontacyl brilliant pink
  • Solar rhodamine B
  • Xylene red B
  • Acid red 52
  • Amido rhodamine B
  • Food red 106
  • Red no. 106
  • Kayaku acid rhodamine BH
  • Kiton red 620
  • Japan red 106
  • Japan red no. 106
  • Kayacyl rhodamine FB
  • Kayaku acid rhodamine FB
  • Orient water red 27
  • Sulforhodamin B
  • Duramine rhodamine B
  • Sulfacid brilliant pink 3B
  • Phloxine rhodamine
  • Japan food red no. 106
  • KR 620
  • Lissamine rhodamine B 200
  • Kiton red S
  • Sandolan rhodamine E-B
  • Sulfacid brilliant pink 3B 1150
  • Kyton red
  • Food red no. 106
  • Food color red no. 106
  • Neolan red E-XB
  • Rhodamine 200S
  • Acid red B-SF
  • Daiwa IJ red 207H
  • Duasyn acid rhodamine B 01
  • Pro-jet red OAM
  • Sandolan rhodamine E-B 400
  • Rakuto acid rhodamine
  • San-ei acid red
  • Colocid rhodamine BH
  • Best acid rhodamine FB
  • Covasol red W 4002
  • Dyacid red 4B
  • Nylosan rhodamine B
  • Kemacid rhodamine B
  • Triacid rhodamine B
  • Vicoacid red 52Y
  • Acid rose B
  • Indacid rhodamine B
  • Acid rhodamine
  • Simacid red 23011
  • Pacid rhodamine B
  • Dycosacid rhodamine B
  • Rhodamine B
  • Hispacid brilliant pink B
  • Dinacid rhodamine B
  • Colocid rhodamine B
  • Rhodamine acid
  • Ravi acid rhodamine B
  • Conacid red EB
  • Colocid rhodamine BN
  • Libacid rhodamine LB
  • Daiwa red 106WB
  • Sanolin rhodamine B
  • Vibracolor red ARE 52
  • Acid rose red B
  • AR 52
  • Rhodamine B 200

Work with Sulforhodamine B

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Sodium 4-[[4-(diethylamino)phenyl]azo]benzenesulfonate62758-12-748 % similar Rhodamine B81-88-946 % similar Acid blue 1129-17-944 % similar Sodium 1,3,6-naphthalenetrisulfonate5182-30-943 % similar C.I. Acid green 1612768-78-440 % similar Disodium 1,6-naphthalenedisulfonate1655-43-239 % similar Phenoxazin-5-ium, 3,7-bis(diethylamino)-, nitrate (1:1)73570-52-237 % similar Sodium xylenesulfonate1300-72-737 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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