CAS 81-77-6 Vat Blue 4 - Materials / Alfa Chemistry

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Vat Blue 4

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Catalog Number

ACM81776

CAS Number

81-77-6

Product Name

Vat Blue 4

Structure

Category

Electroluminescence Materials

Description

Vat blue 4 appears as blue needles with a metallic luster or fine fluffy deep blue powder. (NTP, 1992);DryPowder, WetSolid; OtherSolid, Liquid

IUPAC Name

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

Molecular Weight

442.4g/mol

Molecular Formula

C28H14N2O4

Canonical SMILES

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C4=C(C=C3)NC5=C(N4)C=CC6=C5C(=O)C7=CC=CC=C7C6=O

InChI

InChI=1S/C28H14N2O4/c31-25-13-5-1-3-7-15(13)27(33)21-17(25)9-11-19-23(21)29-20-12-10-18-22(24(20)30-19)28(34)16-8-4-2-6-14(16)26(18)32/h1-12,29-30H

InChI Key

UHOKSCJSTAHBSO-UHFFFAOYSA-N

Melting Point

470-500°C

Flash Point

253.9°C

Purity

98%

Density

1.487 g/cm³

Solubility

water, 3.242e-005 mg/L @ 25 °C (est)

Appearance

Blue needles with a metallic lustre

Assay

0.95

Color/Form

BLUE POWDER;BLUE NEEDLES

Complexity

857

Covalently-Bonded Unit Count

EC Number

201-375-5

Exact Mass

442.095357g/mol

Formal Charge

Heavy Atom Count

MDL Number

MFCD00046964

MeSH Entry Terms

6,15-dihydroanthrazine-5,9,14,18-terone;anthraquinone Vat Blue 4;C.I. Vat Blue 4;Navinone Blue

Monoisotopic Mass

442.095357g/mol

NSC Number

652900;47739

Other Experimental

DECOMPOSES @ 470-500 °C

Packaging

25 kg

Refractive Index

1.746

Rotatable Bond Count

Stability

Incompatible with strong oxidizing agents.

Storage Conditions

Keep in a cool, dry, dark location in a tightly sealed container or cylinder. Keep away from incompatible materials, ignition sources and untrained individuals. Secure and label area. Protect containers/cylinders from physical damage.

UNII

R68OT0N83K

XLogP3

4.9

MSDS

Download MSDS

COA

Download COA

Spec Sheet

Download Spec Sheet

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