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ANTHRAQUINONE BLUE

CAS 81-77-6C28H14N2O4MW 442.4

ANTHRAQUINONE BLUE (CAS 81-77-6) — formula C28H14N2O4, molecular weight 442.4.

Specifications

CAS Number81-77-6
Molecular FormulaC28H14N2O4
Molecular Weight442.4
LogP4.9

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What this product is

ANTHRAQUINONE BLUE is a chemical compound with CAS registry number 81-77-6 and molecular formula C28H14N2O4 (molecular weight 442.4).

Identification

CAS number: 81-77-6

Its molecular formula C28H14N2O4 comprises 28 C, 14 H, 2 N, 4 O atoms.

Also known as: ANTHRAQUINONE BLUE · Indanthrene Blue RS · BLUE RSN

Frequently Asked Questions

What is the CAS number of ANTHRAQUINONE BLUE?

The CAS registry number of ANTHRAQUINONE BLUE is 81-77-6.

What is the molecular formula and molecular weight of ANTHRAQUINONE BLUE?

Molecular formula C28H14N2O4, molecular weight 442.4.

What other names is ANTHRAQUINONE BLUE known by?

It is also registered under: ANTHRAQUINONE BLUE, Indanthrene Blue RS, BLUE RSN.

PubChem Public Data

Public-database records for ANTHRAQUINONE BLUE (CAS 81-77-6), reproduced here for independent cross-checking.

Safety classification and hazard statements

GHS notification summary73.1% (201 / 275)
Reported hazard statementsH412 (13.5%), H413 (13.1%)

This chemical does not meet GHS hazard criteria for 73.1% (201 of 275) of all reports.

H412 (13.5%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

Regulatory listings

Regulatory & Food ContactCOLOUR: Food Additives
CI VAT BLUE 4
NO ADI ALLOCATED
Previous temporary ADI withdrawn
NMRS 54/TRS 557-JECFA 18/17
FAS 6/NMRS 54A-JECFA 18/93
GHS notification summary73.1% (201 / 275)

Physical description and handling notes

  • Vat blue 4 appears as blue needles with a metallic luster or fine fluffy deep blue powder. (NTP, 1992)
  • Liquid; Dry Powder; CBI
  • Blue solid; [Merck Index]
  • BLUE POWDER
  • BLUE NEEDLES
  • 878 to 932 °F (decomposes) (NTP, 1992)

Reported physical properties

Other Experimental PropertiesDECOMPOSES @ 470-500 °C

How this substance is indexed

CAS Registry Number81-77-6
PubChem CID6690
分子式C28H14N2O4
IUPAC 名称2,17-diazaheptacyclo[16.12.0.03,16.04,13.06,11.019,28.021,26]triaconta-1(18),3(16),4(13),6,8,10,14,19(28),21,23,25,29-dodecaene-5,12,20,27-tetrone
UNII(FDA)R68OT0N83K

Documented uses

  • Used to dye unmordanted cotton and as pigment in quality paints and enamels; Indanthrene Blues used in automotive paints, plastics, rubber, and printing inks; [HSDB]
  • Painting (Pigments, Binders, and Biocides) [Category: Paint]
  • Textiles (Printing, Dyeing, or Finishing) [Category: Industry]
  • DYEING UNMORDANTED COTTON; PIGMENT IN QUALITY PAINTS & ENAMELS
  • Plastics -> Typical concentration range in plastic materials -> 2%
  • Food Additives -> COLOUR -> JECFA Functional Classes

Names this substance appears under

Indanthrone; 81-77-6; Indanthrene; Vat blue 4; Medium Blue; Indanthren Blue; Indanthrene Blue; Carbanthrene Blue RS; Caledon Blue RN; Palanthrene Blue GPT; Ponsol RP; Ponsol Blue GZ; Celliton Blue RN; Lutetia Fast Blue RS; Vat Blue O; Food Blue 4

Computed molecular descriptors

分子量442.4
XLogP34.9
氢键供体数2
氢键受体数6
可旋转键数0
精确质量442.09535693
单同位素质量442.09535693
拓扑极性表面积92.3
重原子数34
形式电荷0

Database abstract

BLUE RSN · CAS 81-77-6 · C28H14N2O4. UNII R68OT0N83K. Other Experimental Properties: DECOMPOSES @ 470-500 °C.

Source: PubChem / Wikidata; the batch COA governs where values differ.

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