Disperse Orange 1
Basic information
- CAS
2581-69-3- Standard SMILES
O=[N+]([O-])c1ccc(N=Nc2ccc(Nc3ccccc3)cc2)cc1- InChIKey
YFVXLROHJBSEDW-UHFFFAOYSA-N- Molecular formula
- C18H14N4O2
- Average molar mass
- 318.3 g/mol
- Monoisotopic mass
- 318.1116757
Overview
See also: Disperse Orange 1 (annotation moved to).
Names & identifiers
- Preferred name
- Disperse Orange 1
- IUPAC
- 4-[(4-nitrophenyl)diazenyl]-N-phenylaniline
- English name
- DISPERSE ORANGE 1
- Molecular formula
- C18H14N4O2
- Molecular weight
- 318.33
Names & synonyms
Disperse Orange 12581-69-3Vonteryl Red 4GC.I. Disperse Orange 14-((4-nitrophenyl)diazenyl)-n-phenylaniline4-Anilino-4'-nitroazobenzeneAcetoquinone Light Orange 4RL4-((p-Nitrophenyl)azo)diphenylamine4-(4-Nitrophenylazo)diphenylamineCI 11080DISPERSEORANGE1Diphenylamine, 4-((p-nitrophenyl)azo)-
Show more names
DO1DO-1,DO1vonterylred4gDO1 (Standard)acetateorange5rpalanilorange5rrelitonorange5rresolinorange5rserisolorange5r
4-[(4-nitrophenyl)diazenyl]-N-phenylanilineBenzenamine, 4-((4-nitrophenyl)azo)-N-phenyl-Benzenamine, 4-[(4-nitrophenyl)azo]-N-phenyl-4-[2-(4-nitrophenyl)diazen-1-yl]-N-phenylaniline4-((4-Nitrophenyl)azo)-N-phenylanilineMFCD000073111592R4P97H4-(4-Nitrophenyl)azo-N-phenylaniline
Database identifiers
- CAS
2581-69-3- PubChem CID
- 17414
- DTXSID
DTXSID7062536- UNII
- 1592R4P97H
- Nikkaji
- J2.114.870I、J3.405.725G、J33.608D
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 82.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 415
Experimental & physicochemical properties
LogP5.07
Physicochemical properties
- Melting point
- 160 °C · 160 °C
- Boiling point
- 457.5 °C · 457.5°C (rough estimate)
- Density
- 1.2846 · 1.2846 (rough estimate)
- refractive index
- 1.67 · 1.6700 (estimate)
- storage temp.
- Refrigerator, under inert atmosphere
- solubility
- DMSO (Slightly, Sonicated), Methanol (Slightly, Sonicated)
- Colour Index
- 11080 · 11080
- form
- Solid
- pka
- -0.6 · -0.60±0.40(Predicted)
- color
- Dark Purple to Very Dark Purple
- Water Solubility
- 0.4775 ug/L · 0.4775ug/L(25 ºC)
- Major Application
- cleaning productscosmeticsenvironmentalfood and beveragespersonal care
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
- F
- 10-21
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- JJ9700000
- hs_code
- 32041100
- risk_code
- 36/37/38-22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 37/39-26-24/25
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H317
- Precautionary statements
- P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
- Hazardous Substances Data
- 2581-69-3(Hazardous Substances Data)
Chemistry & industry
Applications
UsesDisperse orange 1 is a dye in terylene.
UsesDisperse Orange 1 is an azo disperse dye which is water insoluble. Disperse Orange 1 can be used to dye polyester and acetate fibers. Dyes and metabolites, Environmental Testing.
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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