Basic information
- CAS
2481-94-9- Standard SMILES
CCN(CC)c1ccc(N=Nc2ccccc2)cc1- InChIKey
SJJISKLXUJVZOA-UHFFFAOYSA-N- Molecular formula
- C16H19N3
- Average molar mass
- 253.34 g/mol
- Monoisotopic mass
- 253.15789761
Overview
Solvent yellow 56 is an azobenzene that is N,N-diethylaniline substituted at position 4 by a phenylazo group. It has a role as a mutagen and a dye. It is a member of azobenzenes, a substituted aniline and a tertiary amino compound.
Names & identifiers
- Preferred name
- Solvent Yellow 56
- IUPAC
- N,N-diethyl-4-phenyldiazenylaniline
- English name
- Solvent Yellow 56
- Molecular formula
- C16H19N3
- Molecular weight
- 253.34
Names & synonyms
Show more names
Database identifiers
- CAS
2481-94-9、87986-73-0- PubChem CID
- 17204
- DTXSID
DTXSID8041745- ChEMBL
CHEMBL3561103- ChEBI
CHEBI:91087- UNII
- 5E973680S8
- EC Number
- 219-616-8
- Nikkaji
- J2.157A、J426.494K
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 28 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 259
Experimental & physicochemical properties
Physicochemical properties
- Melting point
- 94 · 94-96°C
- Boiling point
- 386.54 °C · 386.54°C (rough estimate)
- Density
- 1.0901 · 1.0901 (rough estimate)
- vapor pressure
- 0 Pa · 0Pa at 25℃
- refractive index
- 1.647 · 1.6470 (estimate)
- storage temp.
- -20 °C · -20°C
- solubility
- Chloroform (Sparingly), DMSO (Slightly, Sonicated)
- pka
- 3.41 · 3.41±0.50(Predicted)
- form
- A solid
- Colour Index
- 11021 · 11021
- color
- Dark Orange to Very Dark Orange
- Water Solubility
- 264 μg/L · 264μg/L at 25℃
- LogP
- 5.27 · 5.27
- CAS DataBase Reference
- 2481 · 2481-94-9(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 5 E973680S8 · 5E973680S8
- EPA Substance Registry System
- 56 · C.I. Solvent Yellow 56 (2481-94-9)
- Symbol(GHS)
- 7 · GHS07,GHS08
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H341
- Precautionary statements
- 201 · P201-P202-P308+P313-P405-P501a-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
- Risk Statements
- 20 · 20/21/22-36/37/38-68
- Safety Statements
- 26 · 26-36/37/39-60-36/37
- RTECS
- 9871000 · CX9871000
- TSCA
- TSCA listed
- HS Code
- 29299090 · 29299090
- Toxicity
- 1 mg/plate · mma-sat 1 mg/plate EPASR* 8EHQ-0982-0455
- REACH Registrations
- Inactive
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 4.3% (9 of 210) of reports.
Warning
H302 (76.2%): Harmful if swallowed [Warning Acute toxicity, oral]
P203, P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P318, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 210 reports by companies from 16 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: Benzenamine, N,N-diethyl-4-(phenylazo)-
REACH registered substance: N,N-diethyl-p-(phenylazo)aniline (EC: 219-616-8)
Benzenamine, N,N-diethyl-4-(phenylazo)-: Does not have an individual approval but may be used under an appropriate group standard
Safety data
- tsca
- TSCA listed
- rtecs
- CX9871000
- hs_code
- 29299090
- Toxicity
- mma-sat 1 mg/plate EPASR* 8EHQ-0982-0455
- risk_code
- 20/21/22-36/37/38-68
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS08
- safety_code
- 26-36/37/39-60-36/37
- Hazard statements
- H315-H319-H341
- REACH Registrations
- Inactive
- Precautionary statements
- P201-P202-P308+P313-P405-P501a-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Chemistry & industry
Uses & manufacturing
Applications
Uses4-(Diethylamino)azobenzene (cas# 2481-94-9) is a useful research chemical. Dyes and metabolites, Environmental Testing.Is used in dyeing method of polyolefin fiber or fabric using organic solvent and solvent dye.
Preparation methods
Preparationaniline diazotization, and N,N-diethylbenzenamine coupling.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
Additional notes
DefinitionChEBI: An azobenzene that is N,N-diethylaniline substituted at position 4 by a phenylazo group.
Related reactions
No reaction records under the current filter.
Compound notes
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