sodium 4-{[4-(dimethylamino)phenyl][4-(dimethyliminiumyl)cyclohexa-2,5-dien-1-ylidene]methyl}-3-hydroxynaphthalene-2,7-disulfonate

• ChemBase ID: 103381
• Molecular Formular: C27H25N2NaO7S2
• Molecular Mass: 576.61637
• Monoisotopic Mass: 576.10008743
• SMILES: [Na+].CN(C)c1ccc(cc1)/C(=C/1\C=CC(=[N+](C)C)C=C1)/c1c2ccc(cc2cc(c1O)S(=O)(=O)[O-])S(=O)(=O)[O-]
• Canonical SMILES: CN(c1ccc(cc1)/C(=C\1/C=CC(=[N+](C)C)C=C1)/c1c2ccc(cc2cc(c1O)S(=O)(=O)[O-])S(=O)(=O)[O-])C.[Na+]
• InChI: InChI=1S/C27H26N2O7S2.Na/c1-28(2)20-9-5-17(6-10-20)25(18-7-11-21(12-8-18)29(3)4)26-23-14-13-22(37(31,32)33)15-19(23)16-24(27(26)30)38(34,35)36;/h5-16H,1-4H3,(H2,31,32,33,34,35,36);/q;+1/p-1
• InChIKey: WDPIZEKLJKBSOZ-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: sodium 4-{[4-(dimethylamino)phenyl][4-(dimethyliminiumyl)cyclohexa-2,5-dien-1-ylidene]methyl}-3-hydroxynaphthalene-2,7-disulfonate
• IUPAC Traditional name: potassium 4-{[4-(dimethylamino)phenyl][4-(dimethyliminio)cyclohexa-2,5-dien-1-ylidene]methyl}-3-hydroxynaphthalene-2,7-disulfonate; sodium 4-{[4-(dimethylamino)phenyl][4-(dimethyliminio)cyclohexa-2,5-dien-1-ylidene]methyl}-3-hydroxynaphthalene-2,7-disulfonate
• Synonyms: Lissamine™ Green B; Acid Green 50; C.I. 44090; Wool Green S; Acid Brilliant Green BS; Acid Leather Green S; Green 5; LISSAMINE GREEN B; Food Green S; FD&C Green 4; Lissamine Green B; E142; Green S

Database IDs

• CAS Number: 3087-16-9
• EC Number: 221-409-2
• MDL Number: MFCD00012117
• PubChem SID: 162090676; 24851928
• PubChem CID: 91525
• Chemspider ID: 82646
• Wikipedia Title: Green_S
• Color Index Number: 44090

CALCULATED PROPERTIES

• Acid pKa: -2.427515
• H Acceptors: 8
• H Donor: 1
• LogD (pH = 5.5): 1.0634062
• LogD (pH = 7.4): 0.64230025
• Log P: 1.9560716
• Molar Refractivity: 169.008 cm^3
• Polarizability: 58.026516 Å^3
• Polar Surface Area: 140.88 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Absorption Wavelength: λmax 633 nm

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• RTECS: BQ1150000
• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 22-36/37/38; R:22; R22
• Safety Statements: 36/37/39; S:36/37/39
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: Dye Content 60-70%
• Compostion: Dye content, 60%
• Empirical Formula (Hill Notation): C27H25N2NaO7S2

DETAILS

MP Biomedicals - 02151560

C.I. 44090
Dye Content: 60-70%

Sigma Aldrich - 199583

Frequently Asked Questions
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Packaging
25 g in glass bottle
Legal Information
Lissamine is a trademark of PerkinElmer Inc.