C.I. Pigment Yellow 13
Basic information
- CAS
5102-83-0- Standard SMILES
CC(=O)C(=NNc1ccc(-c2ccc(NN=C(C(C)=O)C(=O)Nc3ccc(C)cc3C)c(Cl)c2)cc1Cl)C(=O)Nc1ccc(C)cc1C- InChIKey
QWYLRRUZRFYUOL-UHFFFAOYSA-N- Molecular formula
- C36H34Cl2N6O4
- Average molar mass
- 685.6 g/mol
- Monoisotopic mass
- 684.201859
Overview
structure
Names & identifiers
- Preferred name
- C.I. Pigment Yellow 13
- IUPAC
- 2-[[2-chloro-4-[3-chloro-4-[2-[1-(2,4-dimethylanilino)-1,3-dioxobutan-2-ylidene]hydrazinyl]phenyl]phenyl]hydrazinylidene]-N-(2,4-dimethylphenyl)-3-oxobutanamide
- English name
- Pigment Yellow 13
- Molecular formula
- C36H34Cl2N6O4
- Molecular weight
- 685.6
Names & synonyms
DTXSID0029268RefChem:917801DTXCID308099022,2'-(3,3'-dichloro-4,4'-biphenylylene)bis(azo)bis(2',4'-acetoacetoxylidide)2,2'-((3,3'-Dichloro(1,1'-biphenyl)-4,4'-diyl)bis(azo))bis(N-(2,4-dimethylphenyl)-3-oxobutanamide)2-[[2-chloro-4-[3-chloro-4-[2-[1-(2,4-dimethylanilino)-1,3-dioxobutan-2-ylidene]hydrazinyl]phenyl]phenyl]hydrazinylidene]-N-(2,4-dimethylphenyl)-3-oxobutanamideNS000068902,2'-[(3,3'-Dichloro[1,1'-biphenyl]-4,4'-diyl)di(hydrazin-2-yl-1-ylidene)]bis[N-(2,4-dimethylphenyl)-3-oxobutanamide]225-822-9YELLOW 13Pigment Yellow 13C.I. Pigment Yellow 13
Show more names
Pigment yellow 13 (C.I. 21100)KI205huangfenC.I. 21100C.I.P.Y.13lianbenangrlianbenanhang
Properties
Computed structural properties
- XLogP
- 10.7
- Topological polar surface area
- 141 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 11
- Heavy atoms
- 48
- Formal charge
- 0
- Complexity
- 1,140
Experimental & physicochemical properties
Polymers
Plastics -> Polyolefin-I; PUR; Polyolefin-II; PVC (soft); ABS; PVC (rigid); PET; PA; PC; (E)PS
Plastics -> Pigments agents
Collision Cross Section238.3 Ų [M]+ [CCS Type: DT; Buffer gas: N2; Ionization: APCI+; Dataset: TOXCAST; Source Identifier: DTXSID0029268]
Physicochemical properties
- Melting point
- 312 · 312-320°C
- Boiling point
- 799.5 · 799.5±60.0 °C(Predicted)
- Density
- 1.29 · 1.29
- refractive index
- 1.735 · 1.7350 (estimate)
- pka
- 0.72 · 0.72±0.59(Predicted)
- form
- Solid:nanomaterial
- Water Solubility
- 0.1 g/100 · <0.1 g/100 mL at 22 ºC
- Cosmetics Ingredients Functions
- COLORANTHAIR DYEING
- LogP
- 1.8 at · 1.8 at 24℃ and pH7
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
- tsca
- TSCA listed
- REACH Registrations
- Active
Chemistry & industry
Uses & manufacturing
UsesPlastics -> Typical concentration range in plastic materials -> 2%
Use Classification
Plastics -> Polymer Type -> Polyolefin-I; PUR; Polyolefin-II; PVC (soft); ABS; PVC (rigid); PET; PA; PC; (E)PS
Plastics -> Pigments agents
Applications
UsesPigment yellow 13 (CAS# 5102-83-0) is a pigment used as a color stabilizer of wood flour/polypropylene composites.
Upstream & downstream products
Upstream raw materials
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