Disperse Red 13
Basic information
- CAS
3180-81-2- Standard SMILES
CCN(CCO)c1ccc(N=Nc2ccc([N+](=O)[O-])cc2Cl)cc1- InChIKey
FEJPWLNPOFOBSP-UHFFFAOYSA-N- Molecular formula
- C16H17ClN4O3
- Average molar mass
- 348.78 g/mol
- Monoisotopic mass
- 348.0989181
Overview
See also: Disperse Red 13 (annotation moved to).
Names & identifiers
- Preferred name
- Disperse Red 13
- IUPAC
- 2-[4-[(2-chloro-4-nitrophenyl)diazenyl]-N-ethylanilino]ethanol
- English name
- DISPERSE RED 13
- Molecular formula
- C16H17ClN4O3
- Molecular weight
- 348.78
Names & synonyms
Disperse Red 133180-81-2C.I. Disperse Red 13Cibacet Rubine BSAmacel Rubine BCelliton Ruby BCibacet Rubine RCelliton Fast Rubine BDurgacet Rubine BPalacet Scarlet BSetacyl Red 2BAcetamine Rubine B
Show more names
CI 11115Rubine Bamacelrubinebcellitonrubybcibacetrubinerdurgacetrubinebcibacetrubinebspalacetscarletb
Dispersol Rubine BDisperse Bordeaux SPerliton Rubine 4BSilotras Rubine TSBCilla Fast Rubine BMicrosetile Rubine 2BNyloquinone Bordeaux BAcetate Fast Rubine B
Database identifiers
- CAS
3180-81-2、590401-75-5- PubChem CID
- 18516
- DTXSID
DTXSID5038915- UNII
- 8GO3E3725A
- Nikkaji
- J33.606H
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 94 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 424
Experimental & physicochemical properties
LogP4.08
Physicochemical properties
- Melting point
- 122 · 122-129 °C(lit.)
- Boiling point
- 547.7 · 547.7±50.0 °C(Predicted)
- Density
- 1.4131 · 1.4131 (rough estimate)
- refractive index
- 1.647 · 1.6470 (estimate)
- pka
- 14.53 · 14.53±0.10(Predicted)
- Colour Index
- 11115 · 11115
- form
- powder
- Water Solubility
- 11.51 ug/L · 11.51ug/L(25 ºC)
- λmax
- 503 nm · 503 nm
- InChI
- 1S/C16H17ClN4O3/c1-2-20(9-10-22)13-5-3-12(4-6-13)18-19-16-8-7-14(21(23)24)11-15(16)17/h3-8,11,22H,2,9-10H2,1H3/b19-18+
- InChIKey
- FEJPWLNPOFOBSP-VHEBQXMUSA-N
- SMILES
- CCN(CCO)c1ccc(cc1)\N=N\c2ccc(cc2Cl)[N+]([O-])=O
- FDA UNII
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
- KK1990000
- 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
UsesDisperse Red 13 is an organic dye. Dyes and metabolites, Environmental Testing.
UsesNLO material
General DescriptionDisperse Red 13 (DR13) is an azo dye that can be used as a non-linear optical (NLO) material. It is an azobenzene functionalized molecule with reversible cis-trans photoisomerization, which can be used for optical memory and switching devices.
Preparation methods
Preparation2-chloro-4-nitrobenzenamine diazo. And N-ethyl-N-hydroxyethylanilinecoupling
Upstream & downstream products
Upstream raw materials
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…