Pigment Red 149
Basic information
- CAS
4948-15-6- Standard SMILES
Cc1cc(C)cc(N2C(=O)c3ccc4c5ccc6c7c(ccc(c8ccc(c3c48)C2=O)c75)C(=O)N(c2cc(C)cc(C)c2)C6=O)c1- InChIKey
FDXVHZCFTCIKDD-UHFFFAOYSA-N- Molecular formula
- C40H26N2O4
- Average molar mass
- 598.6 g/mol
- Monoisotopic mass
- 598.18925731
Names & identifiers
- Preferred name
- Pigment Red 149
- IUPAC
- 7,18-bis(3,5-dimethylphenyl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone
- English name
- Pigment Red 149
- Molecular formula
- C40H26N2O4
- Molecular weight
- 598.65
Names & synonyms
EINECS 225-590-9UNII-ZZA8XO3AWAZZA8XO3AWA2,9-Bis(3,5-dimethylphenyl)anthra(2,1,9-def:6,5,10-d'e'f')diisoquinoline-1,3,8,10(2H,9H)-tetroneDTXSID4052130EC 225-590-92,9-bis(3,5-dimethylphenyl)anthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-1,3,8,10(2h,9h)-tetrone2,9-Bis(3,5-dimethylphenyl)anthra(2,1,9-def:6,5,10-d',e',f')diisoquinoline-1,3,8,10(2H,9H)-tetroneAnthra(2,1,9-def:6,5,10-d'e'f')diisoquinoline-1,3,8,10(2H,9H)-tetrone, 2,9-bis(3,5-dimethylphenyl)-Anthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-1,3,8,10(2H,9H)-tetrone, 2,9-bis(3,5-dimethylphenyl)-RefChem:174228DTXCID2030699
Show more names
K3580PR-149C.I. 71137Pigment Red BPERYLENE RED BLpigment red 149PigMent red 149(perylene red S-0722)S-0722)N,N'-Bis(3,5-xylyl)perylene-3,4:9,10-bis(dicarbimide)Pirimicarb Impurity 9 ( n-desethyl-pirimiphos-methyl)
4948-15-6Pigment Red 149 (Technical Grade)MFCD01318472N,N'-Bis(3,5-dimethylphenyl)-3,4,9,10-perylenetetracarboxylic DiimideAnthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-1,3,8,10(2H,9H)-tetrone,2,9-bis(3,5-dimethylphenyl)-2,9-Bis(3,5-dimethylphenyl)anthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-1,3,8,10(2H,9H)-tetraone7,18-bis(3,5-dimethylphenyl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone2,9-bis(3,5-Dimethylphenyl)anthra2,1,9-def:6,5,10-d'e'f'diisoquinoline-1,3,8,10(2H,9H)-tetrone
Database identifiers
- CAS
4948-15-6- PubChem CID
- 62555
- DTXSID
DTXSID4052130- UNII
- ZZA8XO3AWA
- EC Number
- 225-590-9
- Nikkaji
- J203.203A
Properties
Computed structural properties
- XLogP
- 8.3
- Topological polar surface area
- 74.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 46
- Formal charge
- 0
- Complexity
- 1,130
Experimental & physicochemical properties
Polymers
Plastics -> Pigments agents
Plastics -> Polyolefin-I; PUR; Polyolefin-II; PVC (soft); ABS; PVC (rigid); PET; PMMA; PA; PC; (E)PS
Food Contact SubstancesFCS -> FDA Cumulative Estimated Daily Intake (CEDI)
Physical DescriptionCBI; Dry Powder
Physicochemical properties
- Melting point
- 200 · 200-201 °C
- Density
- 1.439 · 1.439±0.06 g/cm3(Predicted)
- storage temp.
- Room Temperature
- solubility
- Aqueous Acid (Slightly, Heated, Sonicated), DMSO (Slightly, Heated, Sonicated),
- pka
- 3.09 · 3.09±0.20(Predicted)
- form
- Solid
- color
- Red to Very Dark Red
- Water Solubility
- 1.4 μg/L · 1.4μg/L at 23℃
- λmax
- 525 nm · 525nm(lit.)
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
This chemical does not meet GHS hazard criteria for 58.9% (245 of 416) of all reports.
Warning
H373 (40.9%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]
P260, P319, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 416 reports by companies from 5 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: Anthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-1,3,8,10(2H,9H)-tetrone, 2,9-bis(3,5-dimethylphenyl)-
Anthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-1,3,8,10(2H,9H)-tetrone, 2,9-bis(3,5-dimethylphenyl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Anthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-1,3,8,10(2H,9H)-tetrone, 2,9-bis(3,5-dimethylphenyl)- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
REACH registered substance: 2,9-bis(3,5-dimethylphenyl)anthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-1,3,8,10(2H,9H)-tetrone (EC: 225-590-9)
Anthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-1,3,8,10(2H,9H)-tetrone, 2,9-bis(3,5-dimethylphenyl)-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSTOT RE 2 (40.9%)
Safety data
- tsca
- TSCA listed
- hs_code
- 3204.17.9025
- Signal word
- Warning
- Symbol(GHS)
- GHS08
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
Uses & manufacturing
UsesPlastics -> Typical concentration range in plastic materials -> 2%
U.S. Production2023: 50,000 - <75,000 lb
Consumer UsesPigment
Industry UsesPigment
Use Classification
Plastics -> Polymer Type -> Polyolefin-I; PUR; Polyolefin-II; PVC (soft); ABS; PVC (rigid); PET; PMMA; PA; PC; (E)PS
Plastics -> Pigments agents
General Manufacturing Information
Plastics Material and Resin Manufacturing
Anthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-1,3,8,10(2H,9H)-tetrone, 2,9-bis(3,5-dimethylphenyl)-: ACTIVE
Applications
UsesPigment red 149 (CAS# 4948-15-6) is a perylenediimide dye, and has been proposed for use as cost-efficient cathodes for lithium ion batteries. Pigment red 149 has also been implemented as a doping agent for poly(styrene-co-maleimide) nanoparticles for use as bioprobes for biotinylated antibodies.
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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