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Solvent Yellow 44

HCID 75589
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Basic information

CAS
144246-02-6
Standard SMILES
Cc1ccc(N2C(=O)c3cccc4c(N)ccc(c34)C2=O)c(C)c1
InChIKey
FQLZTPSAVDHUKS-UHFFFAOYSA-N
Molecular formula
C20H16N2O2
Average molar mass
316.4 g/mol
Monoisotopic mass
316.12117776

Names & identifiers

Preferred name
Solvent Yellow 44
IUPAC
6-amino-2-(2,4-dimethylphenyl)benzo[de]isoquinoline-1,3-dione
English name
SOLVENT YELLOW 85
Molecular formula
C20H16N2O2
Molecular weight
316.35

Names & synonyms

2478-20-8Solvent yellow 44144246-02-6Disperse Yellow 111H-Benz[de]isoquinoline-1,3(2H)-dione, 6-amino-2-(2,4-dimethylphenyl)-BM6Y3B8SJYC.I. SOLVENT YELLOW 135Naphthalimide, 4-amino-N-2,4-xylyl-DTXSID7062453C.I. SOLVENT YELLOW 44C.I. DISPERSE YELLOW 111H-Benz(de)isoquinoline-1,3(2H)-dione, 6-amino-2-(2,4-dimethylphenyl)-
Show more names
C.I.56200Yellow 85Yellow FCYellow FNsolventyellow44FD & C Yellow 11SOLVENT YELLOW 85FLUORESCENTYELLOWYPlastic Yellow FGP.
6-Amino-2-(2,4-dimethylphenyl)-1H-benz(de)isoquinoline-1,3(2H)-dione6-amino-2-(2,4-dimethylphenyl)-1H-benz[de]isoquinoline-1,3(2H)-dioneC.I. 562004-AMINO-1,8-NAPHTHAL-2',4'-DIMETHYLPHENYLIMIDERefChem:888161DTXCID6037146DTXSID601061942SOLVENT YELLOW 44 [INCI]

Database identifiers

CAS
144246-02-6、2478-20-8
PubChem CID
75589
DTXSID
DTXSID7062453
UNII
BM6Y3B8SJY
EC Number
219-607-9、604-404-3
Nikkaji
J84.858A

Properties

Computed structural properties

XLogP
3.8
Topological polar surface area
63.4 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
1
Heavy atoms
24
Formal charge
0
Complexity
534

Experimental & physicochemical properties

CosmeticsHair dyeing

Physicochemical properties

Boiling point
591.4 · 591.4±50.0 °C(Predicted)
Density
1.342 · 1.342±0.06 g/cm3(Predicted)
vapor pressure
0 Pa · 0Pa at 25℃
pka
5.17 · 5.17±0.20(Predicted)
Water Solubility
4.06 mg/L · 4.06mg/L at 20℃
Cosmetics Ingredients Functions
HAIR DYEING
LogP
2.3 at · 2.3 at 35℃
EWG's Food Scores
1 · 1
FDA UNII
6 Y3B8SJY · BM6Y3B8SJY
EPA Substance Registry System
1 H-Benz[de]isoquinoline-1,3 · 1H-Benz[de]isoquinoline-1,3(2H)-dione, 6-amino-2-(2,4-dimethylphenyl)- (2478-20-8)
Symbol(GHS)
9 · GHS09
Signal word
Warning

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 · 6 items

This chemical does not meet GHS hazard criteria for 4.1% (2 of 49) of reports.

Warning

H400 (95.9%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]

P273, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 49 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

This chemical does not meet GHS hazard criteria for 100% (3 of 3) of all reports.

Hazard information

Regulatory Information · 3 items

Chemical: 1H-Benz[de]isoquinoline-1,3(2H)-dione, 6-amino-2-(2,4-dimethylphenyl)-

REACH registered substance: 6-amino-2-(2,4-dimethylphenyl)-1H-benz[de]isoquinoline-1,3(2H)-dione (EC: 219-607-9)

1H-Benzdeisoquinoline-1,3(2H)-dione, 6-amino-2-(2,4-dimethylphenyl)-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazard Classes and Categories · 2 items

Aquatic Acute 1 (95.9%)

Not Classified

Safety data

tsca
TSCA listed
Signal word
Warning
Symbol(GHS)
GHS09
Hazard statements
H410
REACH Registrations
Active
Precautionary statements
P273-P391-P501

Chemistry & industry

Uses & manufacturing

Use ClassificationCosmetics -> Hair dyeing
General Manufacturing Information1H-Benz[de]isoquinoline-1,3(2H)-dione, 6-amino-2-(2,4-dimethylphenyl)-: ACTIVE

Preparation methods

Preparation4-Aminonaphthalic anhydride and 4-Amino[1,8]naphthalic anhydridecondensation

Upstream & downstream products

Upstream raw materials

CopperPropionic acid2,4-Dimethyl aniline1,8-Naphthalic anhydrideDilute hydrochloric acid4-aminonaphthalic anhydride4-Amino-1,8-naphthalic anhydride2,4-Dimethyl aniline

Suppliers

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Related reactions

2 records
New reaction record
HRID 1136794 reaction equation
HRID 1136794As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)
HRID 1159353 reaction equation
HRID 1159353As reactantuspto-grants-2010_10

Compound notes

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On this pageBasic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
Hazard statements
410 · H410
Precautionary statements
273 · P273-P391-P501
TSCA
TSCA listed
REACH Registrations
Active