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2-(1,3-Dioxo-2,3-dihydro-1H-inden-2-yl)quinoline-6,8-disulfonic acid

HCID 24672
NotesReactions
Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
8004-92-0
Standard SMILES
O=C1c2ccccc2C(=O)C1c1ccc2cc(S(=O)(=O)O)cc(S(=O)(=O)O)c2n1
InChIKey
OESPFRYVCUTRKF-UHFFFAOYSA-N
Molecular formula
C18H11NO8S2
Average molar mass
433.4 g/mol
Monoisotopic mass
432.99260866

Names & identifiers

Preferred name
2-(1,3-Dioxo-2,3-dihydro-1H-inden-2-yl)quinoline-6,8-disulfonic acid
IUPAC
2-(1,3-dioxoinden-2-yl)quinoline-6,8-disulfonic acid
English name
Quinoline Yellow
Molecular formula
C18H9NNa2O8S2
Molecular weight
477.38

Names & synonyms

94803-32-42-(1,3-dioxo-2,3-dihydro-1h-inden-2-yl)quinoline-6,8-disulfonic acidG5MIQ8Q13HUNII-G5MIQ8Q13H6,8-Quinolinedisulfonic acid, 2-(2,3-dihydro-1,3-dioxo-1H-inden-2-yl)-DTXSID108731266,8-Quinolinedisulfonic acid, 2-(1,3-dioxo-2-indanyl)-RefChem:83794DTXCID7027964ChinogelbChinogelb ExtraQuinoline Yellow S
Show more names
Acid Yellow 3l-gelb3c.i.801c.i.918YELLOW 10C.I. 47005zlutkysela3D&CYellow#11D&CYellow#10
Jaune de quinoleineFood Yellow 13Quinidine Yellow KTDye Quinoline YellowJapan Yellow 203Lemon Yellow ZN 3Schultz No. 918Quinoline Yellow Extra

Database identifiers

CAS
8004-92-0、94803-32-4
PubChem CID

Properties

Computed structural properties

XLogP
0.9
Topological polar surface area
173 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
9
Rotatable bonds
3
Heavy atoms
29
Formal charge
0
Complexity
879

Experimental & physicochemical properties

CosmeticsCosmetic colorant

Physicochemical properties

Melting point
240 °C · 240 °C
storage temp.
Hygroscopic, Refrigerator, under inert atmosphere
solubility
2 O: · H2O: soluble0.1g/10 mL
Colour Index
47005 · 47005
form
Powder
color
Yellow to orange-brown
Water Solubility
225 g/L · 225 g/L (20 ºC)
λmax
412 nm · 412 nm
Merck
14 · 14,8071
Henry's Law Constant
3.4 · 3.4×1014 mol/(m3Pa) at 25℃, HSDB (2015)
Stability
Hygroscopic
Major Application
diagnostic assay manufacturinghematologyhistology
Cosmetics Ingredients Functions

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

PPE
dust mask type N95 (US), Eyeshields, Gloves
wgk
3
tsca
TSCA listed
rtecs
GC5796000
hs_code
32129000
Toxicity
LD50 in rats (g/kg): >2 orally (Lu, Lavalle)
risk_code
22-36/37/38
Signal word
Warning
Symbol(GHS)
GHS07
hazard_code
Xn,Xi
safety_code
24/25-36-26-22
Storage Class
11 - Combustible Solids
Hazard statements
H302
Hazard Classifications
Acute Tox. 4 Oral
Precautionary statements
P264-P270-P301+P312-P501
Hazardous Substances Data
8004-92-0(Hazardous Substances Data)

Chemistry & industry

Uses & manufacturing

Use ClassificationCosmetics -> Cosmetic colorant

Applications

UsesQuinoline yellow, is a yellow powder used in lipstick, lotion, soap, shampoo, bubble bath, ingested drugs, and applied drugs applications.

UsesTextile dye for wool, nylon, silk. Paper dye. Barium salt in printing inks. Color for food, drugs, cosmetics.

Preparation methods · 1 item

Preparationcommonly known as Quinoline cross. Quinoline Yellow Extra is alcohol solution Quinoline Yellow (C.I.Solvent Yellow 33, C.I. 47000’s later dye) two and three sulfonic acid mixture. Quinoline Yellow S is alcohol solution quinoxalin and two Yellow elim sulfonic acid mixture. Early Quinoline yellow is early alcohol solution of two things Quinoline yellow products.

Upstream & downstream products

Upstream raw materials

Quinoline1,3-Indanedione6-MethylquinolineSolvent Yellow 33

Suppliers100 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]

Related reactions

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Compound notes

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On this pageBasic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
24672
DTXSID
DTXSID10873126
ChEMBL
CHEMBL3306382
UNII
G5MIQ8Q13H
Nikkaji
J402.742F
COLORANTHAIR DYEING
InChI
1S/C18H11NO8S2.2Na/c20-17-11-3-1-2-4-12(11)18(21)15(17)13-6-5-9-7-10(28(22,23)24)8-14(16(9)19-13)29(25,26)27;;/h1-8,15H,(H,22,23,24)(H,25,26,27);;/q;2*+1/p-2
InChIKey
FZUOVNMHEAPVBW-UHFFFAOYSA-L
SMILES
[Na+].[Na+].[S](=O)(=O)([O-])c1c2nc(ccc2cc(c1)[S](=O)(=O)[O-])C3C(=O)c4c(cccc4)C3=O
LogP
0.681 · 0.681 (est)
FDA 21 CFR
74.171 · 74.1710; 74.2710; 74.3710;82.1710
EWG's Food Scores
1 · 1-3
FDA UNII
35 SW5USQ3G · 35SW5USQ3G
EPA Substance Registry System
3 · C.I. Acid Yellow 3 (8004-92-0)
UNSPSC Code
41116107 · 41116107
NACRES
47 · NA.47
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
302 · H302
Precautionary statements
264 · P264-P270-P301+P312-P501
PPE
95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes
Xn,Xi
Risk Statements
22 · 22-36/37/38
Safety Statements
24 · 24/25-36-26-22
WGK Germany
3 · 3
RTECS
5796000 · GC5796000
TSCA
TSCA listed
HS Code
32129000 · 32129000
Storage Class
11 · 11 - Combustible Solids
Hazard Classifications
4 Oral · Acute Tox. 4 Oral
Hazardous Substances Data
8004 · 8004-92-0(Hazardous Substances Data)
Toxicity
50 in · LD50 in rats (g/kg): >2 orally (Lu, Lavalle)
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