Rhodanile Blue
Basic information
- CAS
14969-56-3- Standard SMILES
CCN(CC)c1ccc2nc3c4ccccc4c(=NC(=O)c4ccccc4-c4c5ccc(N(CC)CC)cc5[o+]c5cc(N(CC)CC)ccc45)cc-3oc2c1.[Cl-]- InChIKey
UYQVPCFMVWEDCA-UHFFFAOYSA-M- Molecular formula
- C48H48ClN5O3
- Average molar mass
- 778.4 g/mol
- Monoisotopic mass
- 777.3445681
Overview
RN given refers to chloride
Names & identifiers
- Preferred name
- Rhodanile Blue
- IUPAC
- 2-[3,6-bis(diethylamino)xanthen-10-ium-9-yl]-N-[9-(diethylamino)benzo[a]phenoxazin-5-ylidene]benzamide chloride
- English name
- RHODANILE BLUE
- Molecular formula
- C48H50ClN5O3
- Molecular weight
- 780.4
Names & synonyms
Rhodanile blue14969-56-3TW5J4YM6QXNSC-326193Ammonium, (6-(diethylamino)-9-(o-((9-(diethylamino)-5H-benzo(a)phenoxazin-5-ylidene)carbamoyl)phenyl)-3H-xanthen-3-ylidene)diethyl-, chlorideEthanaminium, N-(6-(diethylamino)-9-(2-(((9-(diethylamino)-5H-benzo(a)phenoxazin-5-ylidene)amino)carbonyl)phenyl)-3H-xanthen-3-ylidene)-N-ethyl-, chlorideAmmonium, [6-(diethylamino)-9-[o-[[9-(diethylamino)-5H-benzo[a]phenoxazin-5-ylidene]carbamoyl]phenyl]-3H-xanthen-3-ylidene]diethyl-, chlorideEthanaminium, N-[6-(diethylamino)-9-[2-[[[9-(diethylamino)-5H-benzo[a]phenoxazin-5-ylidene]amino]carbonyl]phenyl]-3H-xanthen-3-ylidene]-N-ethyl-, chlorideRefChem:882978239-040-0NSC3261932-[3,6-bis(diethylamino)xanthen-10-ium-9-yl]-N-[9-(diethylamino)benzo[a]phenoxazin-5-ylidene]benzamide;chloride
Show more names
BP67000000RHODANILEBLUE2ammonium,(6-(diethylamino)-9-(o-((9-(diethylamino)-5h-benzo(a)phenoxazin-5-yli3,6-bis(diethylamino)-9-[2-[[[9-(diethylamino)-5H-benzo[a]phenoxazin-5-ylidene]amino]carbonyl]phenyl]xanthylium chloride
Properties
Computed structural properties
- Topological polar surface area
- 61.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 11
- Heavy atoms
- 57
- Formal charge
- 0
- Complexity
- 1,400
Physicochemical properties
- storage temp.
- room temp
- form
- powder or crystals
- λmax
- 552 nm630 · 552 nm630 nm (2nd)
- Major Application
- diagnostic assay manufacturinghematologyhistology
- InChIKey
- UYQVPCFMVWEDCA-HAIIBULWSA-M
- SMILES
- [Cl-].CCN(CC)c1ccc2N=C3C(Oc2c1)=CC(=N/C(=O)c4ccccc4C5=C6C=C\C(C=C6Oc7cc(ccc57)N(CC)CC)=[N+](\CC)CC)\c8ccccc38
- FDA UNII
- 5 J4YM6QX · TW5J4YM6QX
- UNSPSC Code
- 12171500 · 12171500
- NACRES
- 47 · NA.47
- Symbol(GHS)
- 7 · GHS07,GHS08
- Signal word
- Warning
- Hazard statements
- 319 · H319-H351
- Precautionary statements
- 201 · P201-P280-P305+P351+P338-P308+P313-P405-P501a
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
- Hazard Codes
- Xn
- Risk Statements
- 20 · 20/21/22-40
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H351 (100%): Suspected of causing cancer [Warning Carcinogenicity]
P203, P280, P318, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 43 reports by companies from 3 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesCarc. 2 (100%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- rtecs
- BP6700000
- ridadr
- 3143
- risk_code
- 20/21/22-40
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS08
- hazard_code
- Xn
- safety_code
- 26-36/37/39-36-22
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H319-H351
- Hazard Classifications
- Carc. 2
- Precautionary statements
- P201-P280-P305+P351+P338-P308+P313-P405-P501a
Chemistry & industry
Applications
UsesComplex of Rhodamine B and Nile Blue.
Suppliers
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Related reactions
0 records
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Compound notes
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