1,1'-Diethyl-2,2'-carbocyanine Chloride; Quinaldine Blue
Basic information
- CAS
2768-90-3- Standard SMILES
CCN1C(=CC=Cc2ccc3ccccc3[n+]2CC)C=Cc2ccccc21.[Cl-]- InChIKey
FVMNARAKYNRZID-UHFFFAOYSA-M- Molecular formula
- C25H25ClN2
- Average molar mass
- 388.9 g/mol
- Monoisotopic mass
- 388.1706265
Overview
See also: Pinacyanol chloride (preferred).
Names & identifiers
- Preferred name
- 1,1'-Diethyl-2,2'-carbocyanine Chloride; Quinaldine Blue
- IUPAC
- 1-ethyl-2-[3-(1-ethylquinolin-1-ium-2-yl)prop-2-enylidene]quinoline chloride
- English name
- Pinacyanol chloride
- Molecular formula
- C25H25ClN2
- Molecular weight
- 388.93
Names & synonyms
MFCD000119741,1'-Diethyl-2,2'-carbocyanine Chloride; Quinaldine Blue1-Ethyl-2-(3-(1-ethylquinolin-2(1H)-ylidene)prop-1-en-1-yl)quinolin-1-ium chloride1-Ethyl-2-[3-(1-ethylquinolin-2(1H)-ylidene)prop-1-en-1-yl]quinolin-1-ium chlorideC25H25ClN2SCHEMBL466982orb3177323SCHEMBL306888252,2 -Trimethinequinocyanine chloride1,1 -Diethyl-2,2 -carbocyanine chlorideNS00083496F600891
Show more names
NSC-56808QUINALDINE BLUEPinacyanoleChloridePinacyanol chloridePinacyanolChloride>Pinacyanol chloride,97%QUINALDINE BLUE, CHLORIDE1,1′-Diethyl-2,2′-triMethinequinocy2,2'-TRIMETHINEQUINOCYANINE CHLORIDE1,1'-DIETHYL-2,2'-CARBOCYANINE CHLORIDE
Properties
Computed structural properties
- Topological polar surface area
- 7.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 527
Physicochemical properties
- Melting point
- 270 °C · 270 °C (dec.)(lit.)
- Boiling point
- 543.58 °C · 543.58°C (rough estimate)
- Density
- 1.0453 · 1.0453 (rough estimate)
- refractive index
- 1.594 · 1.5940 (estimate)
- storage temp.
- 2 · 2-8°C
- form
- powder to crystal
- color
- Green to Dark green
- λmax
- 560 nm · 560 nm (2nd)604 nm
- ε(extinction coefficient)
- 150000 at · ≥150000 at 603-609nm in ethanol at 0.001g/L≥65000 at 559-565nm in ethanol at 0.001g/L
- Merck
- 14 · 14,8048
- Major Application
- diagnostic assay manufacturinghematologyhistology
- InChI
- 1S/C25H25N2.ClH/c1-3-26-22(18-16-20-10-5-7-14-24(20)26)12-9-13-23-19-17-21-11-6-8-15-25(21)27(23)4-2;/h5-19H,3-4H2,1-2H3;1H/q+1;/p-1
- InChIKey
- FVMNARAKYNRZID-UHFFFAOYSA-M
- SMILES
- [Cl-].CCN1C(=C\C=C\c2ccc3ccccc3[n+]2CC)\C=Cc4ccccc14
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 2933.49.7000
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Applications
DescriptionPinacyanol chloride is a water-soluble dichroic dye.
UsesHistological stain (chromosomes).
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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