Nile Blue perchlorate
Basic information
- CAS
53340-16-2- Standard SMILES
CC[N+](CC)=c1ccc2nc3c(cc(N)c4ccccc43)oc-2c1.[O-][Cl+3]([O-])([O-])[O-]- InChIKey
OUAWJLNOTQAOHL-UHFFFAOYSA-N- Molecular formula
- C20H20ClN3O5
- Average molar mass
- 417.8 g/mol
- Monoisotopic mass
- 417.1091484
Overview
Nile blue perchlorate is an organic perchlorate salt. It has a role as a fluorochrome. It contains a nile blue(1+).
Names & identifiers
- Preferred name
- Nile Blue perchlorate
- IUPAC
- (5-aminobenzo[a]phenoxazin-9-ylidene)-diethylazanium perchlorate
- English name
- NILE BLUE A PERCHLORATE
- Molecular formula
- C20H20ClN3O5
- Molecular weight
- 417.85
Names & synonyms
Nile Blue A perchlorateNile Blue perchlorate53340-16-2Nile Blue 690 perchlorate(5-aminobenzo[a]phenoxazin-9-ylidene)-diethylazanium;perchlorate5-Amino-9-(diethylamino)benzo(a)phenoxazin-7-ium perchlorate5-amino-9-(diethylamino)benzo[a]phenoxazin-7-ium perchlorateBenzo[a]phenoxazin-7-ium, 5-amino-9-(diethylamino)-, perchlorateBENZO(a)PHENOXAZIN-7-IUM, 5-AMINO-9-(DIETHYLAMINO)-, PERCHLORATEBenzo(a)phenoxazin-7-ium, 5-amino-9-(diethylamino)-, perchlorate (1:1)Benzo[a]phenoxazin-7-ium, 5-amino-9-(diethylamino)-, perchlorate (1:1)Nilblau perchlorate
Show more names
NILE BLUEOXAZINE 725nileblue690perchlorateNile Blue A perchlorate, 99+%nileblueaperchlorate,lasergradeNile Blue A perchlorate Dye content 95 %Nile Blue A perchlorate, laser grade, pureNile Blue A perchlorate,99+%,pure,laser grade
orb2565679SCHEMBL4543462SCHEMBL29461636CHEBI:52164DTXSID40886047PXAWBBITGJLNFP-UHFFFAOYSA-MHY-D1772SBB059668
Properties
Computed structural properties
- Topological polar surface area
- 125 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 721
Physicochemical properties
- Melting point
- 290 · 290-292 °C (dec.)(lit.)
- Density
- 1.3149 · 1.3149 (rough estimate)
- refractive index
- 1.65 · 1.6500 (estimate)
- form
- Crystalline Powder or Crystals
- color
- Green to bronze
- λmax
- 628 nm · 628 nm
- Stability
- Stable. Incompatible with strong oxidizing agents.
- InChI
- 1S/C20H19N3O.ClHO4/c1-3-23(4-2)13-9-10-17-18(11-13)24-19-12-16(21)14-7-5-6-8-15(14)20(19)22-17;2-1(3,4)5/h5-12,21H,3-4H2,1-2H3;(H,2,3,4,5)
- InChIKey
- OUAWJLNOTQAOHL-UHFFFAOYSA-N
- SMILES
- [O-]Cl(=O)(=O)=O.CC\[N+](CC)=C1/C=CC2=Nc3c(OC2=C1)cc(N)c4ccccc34
- EPA Substance Registry System
- -7 · Benzo[a]phenoxazin-7-ium, 5-amino-9-(diethylamino)-, perchlorate (53340-16-2)
- UNSPSC Code
- 12352103 · 12352103
- NACRES
- 23 · NA.23
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
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
- rtecs
- DJ1930500
- hs_code
- 32041900
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-37/39
- 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
DescriptionNile Blue A perchlorate is a laser dye used for pulsed and CW operations.
UsesNBA can be used in the confocal microscopy of imidazolium functionalized clay. It can also be used in the labeling of silver nanoparticles for surface enhanced raman scattering (SERS). Silica gel doped with NBA can be potentially used as a solid state dye for laser based materials.
General DescriptionNile Blue A perchlorate (NBA) is a cationic oxazine dye that has properties of both the electron donor and acceptor. It contains two amine groups that form a push-pull conjugating module. Its sensitivity to the environment allows it to have the solvatochromic characteristic.
Additional notes
DefinitionChEBI: Nile blue perchlorate is an organic perchlorate salt. It has a role as a fluorochrome. It contains a nile blue(1+).
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