3,7-diamino-2,8-dimethyl-5-phenyl-5λ5,10-phenazin-5-ylium chloride

• ChemBase ID: 103522
• Molecular Formular: C20H19ClN4
• Molecular Mass: 350.84466
• Monoisotopic Mass: 350.12982431
• SMILES: [Cl-].Cc1cc2nc3cc(C)c(N)cc3[n+](c3ccccc3)c2cc1N
• Canonical SMILES: Nc1cc2c(cc1C)nc1c([n+]2c2ccccc2)cc(c(c1)C)N.[Cl-]
• InChI: InChI=1S/C20H18N4.ClH/c1-12-8-17-19(10-15(12)21)24(14-6-4-3-5-7-14)20-11-16(22)13(2)9-18(20)23-17;/h3-11H,1-2H3,(H3,21,22);1H
• InChIKey: OARRHUQTFTUEOS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,7-diamino-2,8-dimethyl-5-phenyl-5λ^5,10-phenazin-5-ylium chloride; 3,7-diamino-2,8-dimethyl-5-phenyl-5λ^5-phenazin-5-ylium chloride; 3,7-diamino-2,8-dimethyl-5-phenyl-5$l^{5},10-phenazin-5-ylium chloride
• IUPAC Traditional name: 3,7-diamino-2,8-dimethyl-5-phenyl-5λ^5,10-phenazin-5-ylium chloride; 3,7-diamino-2,8-dimethyl-5-phenyl-5λ^5-phenazin-5-ylium chloride; 3,7-diamino-2,8-dimethyl-5-phenyl-5$l^{5},10-phenazin-5-ylium chloride
• Synonyms: Safranin Y or A; Safranin O; Safranin O; Safranin T; Safranin; C.I. 50240; Safranin T solution; Gram’s safranin solution; Basic Red 2; Cotton Red; Gossypimine; Safranin T; Safranin Y; Safranin A; SAFRANINE O; SAFRANINE O; GOSSYPIMINE; 3,7-Diamino-2,8-dimethyl-5-phenylphenazinium chloride; Safranine O; Safranin T solution; Gram’s safranin solution; Gram-Hucker’s stain solution (III); 3,7-Diamino-2,8-dimethyl-5-phenylphenazin-5-ium chloride; 棉染红; 盐基桃红; 碱性红 2; 藏红 T; 藏红 Y 或 A; 藏红 O; 藏红 O; 藏红 T; (碱性)藏红O; 藏红 T 溶液; 革兰氏藏红 溶液; 藏红 T 溶液; 革兰氏藏红 溶液; Gram-Hucker’s stain solution (III)

Database IDs

• CAS Number: 477-73-6
• EC Number: 200-578-6; 207-518-8
• MDL Number: MFCD00011759
• Beilstein Number: 3924099
• PubChem SID: 162090398; 24899516; 24859561; 24899820
• PubChem CID: 2723800
• Chemspider ID: 2005991
• Wikipedia Title: Safranin
• Color Index Number: 50240

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.785387
• LogD (pH = 7.4): 0.8123235
• Log P: 0.8126784
• Molar Refractivity: 109.3911 cm^3
• Polarizability: 40.03386 Å^3
• Polar Surface Area: 68.81 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: S. No.: 967
• Flash Point: 114.8 °F; 46 °C
• Density: 0.986 g/mL at 20 °C; 1.00 g/mL at 20 °C
• Refractive Index: n20/D 1.339
• Absorption Wavelength: λmax 530 nm

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• RTECS: SG1623000
• European Hazard Symbols: Flammable (F); Irritant (Xi)
• UN Number: 1170
• German water hazard class: 2; 3
• Hazard Class: 3
• Packing Group: 3
• Risk Statements: 11; 36/37/38; 41; R:36/37/38
• Safety Statements: 26-37; 26-39; 7-16; S:20-25-26-37/39
• TSCA Listed: 是
• GHS Pictograms: GHS02; GHS05; GHS07
• GHS Signal Word: Danger; Warning
• GHS Hazard statements: H226; H315-H319-H335; H318
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A; P280-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves; Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter; Eyeshields, Gloves
• RID/ADR: UN 1170 3/PG 3

Product Information

• Purity: 95+%
• Concentration: 3% in H2O
• Grade: certified by the Biological Stain Commission; for microscopy; redox indicator and for microscopy
• Compostion: Dye content, ≥80%; Dye content, ≥85%; Dye content, 95%
• Shelf Life: (limited shelf life, expiry date on the label)
• Appearance: S. No.: 967
• Empirical Formula (Hill Notation): C20H19ClN4

DETAILS

MP Biomedicals - 02152040

C.I. 50240
Redox and adsorption indicator.
Biological stain used in histology, cytology, bacteriology.

MP Biomedicals - 05218081

MP Biomedicals Rare Chemical collection

Sigma Aldrich - S8884

Packaging
25, 100 g in glass bottle
Suitability
Certified as a stain for chromosomes in the Flemming triple stain; to stain gram negative bacteria in the Gram stain procedure; Safranine-fast green FCF stain for plant cells.

Sigma Aldrich - 31031

General description
Visit our Titration Center to learn more.

REFERENCES

• Biological stain.