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Vat Blue 18(CAS No. 116-71-2)

Vat Blue 18 C34H16O2 (cas 116-71-2) Molecular Structure

116-71-2 Structure

Identification and Related Records

【Name】
Vat Blue 18
【CAS Registry number】
116-71-2
【Synonyms】
Violanthrone(8CI)
5,10-Violanthrenedione
Amanthrene Dark Blue BO
Anthravat Dark Blue BO
Belanthrene Dark BlueBO
Benzadone Dark Blue BOR
Benzadone Dark Blue BORI
Anthra[9,1,2-cde]benzo[rst]pentaphene-5,10-dione
Bianthrone A
C.I. Pigment Blue 65
C.I. VatBlue 20
Calcoloid Dark BlueBOD
Caledon Dark Blue BM
Caledon Navy BM
Caledon Printing Dark Blue BM
Carbanthrene Dark Blue DR
Cibanone DarkBlue BO
Cibanone Dark Blue FBOA
Cibanone Dark Blue MBA
Dibenzanthrone
Dinaphtho[1,2,3-cd:3',2',1'-lm]perylene-5,10-dione
Farbanthren Dark Blue BOA
Fenanthren Dark Blue BO
Indanthren Dark Blue BOA
Indanthren Dark Blue DB
Irgalite Blue 2R
MikethreneDark Blue B
Mikethrene Dark Blue BO
NSC 2212
Navinon Blue BO
Navinon Dark Blue BO
Nyanthrene Navy Blue BR
Ostanthren Dark Blue BOA
PalanthreneDark Blue BOA
Paradone Dark Blue
Paradone Dark Blue 58321
Pernithrene DarkBlue BOA
Ponsol Dark Blue BR
Ponsol Dark Blue BRD
Sandothrene Dark Blue BOA
Sandothrene Dark Blue NBO
Sandothrene Dark Blue NBOA
Sandothrene Dark BlueNMBA
Solanthrene Dark Blue BA
Solanthrene Dark BlueBOA
Solanthrene Dark Blue F-BA
Tinon Dark Blue BO
TinonDark Blue BOR
Tinon Dark Blue MB
Tinon Dark Blue MBA
Vat Dark Blue O
Violanthrene N
Violanthrone A
【EINECS(EC#)】
204-152-0
【Molecular Formula】
C34H16O2 (Products with the same molecular formula)
【Molecular Weight】
456.49
【Inchi】
InChI=1/C34H16O2/c35-33-25-7-3-1-5-17(25)19-9-11-21-22-12-10-20-18-6-2-4-8-26(18)34(36)28-16-14-24(30(22)32(20)28)23-13-15-27(33)31(19)29(21)23/h1-16H
【InChIKey】
YKSGNOMLAIJTLT-UHFFFAOYSA-N
【Canonical SMILES】
C1=CC=C2C(=C1)C3=C4C(=CC=C5C4=C(C=C3)C6=C7C5=CC=C8C7=C(C=C6)C9=CC=CC=C9C8=O)C2=O
【MOL File】
116-71-2.mol

Chemical and Physical Properties

【Appearance】
Bluish-black to black powder
【Density】
1.487g/cm3
【Boiling Point】
°Cat760mmHg
【Refractive Index】
1.926
【Flash Point】
°Cat760mmHg
【Computed Properties】
Molecular Weight:456.48964 [g/mol]
Molecular Formula:C34H16O2
XLogP3-AA:8
H-Bond Donor:0
H-Bond Acceptor:2
Rotatable Bond Count:0
Exact Mass:456.11503
MonoIsotopic Mass:456.11503
Topological Polar Surface Area:34.1
Heavy Atom Count:36
Formal Charge:0
Complexity:877
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:2
Feature 3D Ring Count:9
Effective Rotor Count:0
Conformer Sampling RMSD:0.6
CID Conformer Count:1

Safety and Handling

【Safety】

Moderately toxic by intraperitoneal route. When heated to decomposition it emits acrid smoke and irritating fumes.

【Specification】

?Violanthrone ,its CAS NO. is 116-71-2,the synonyms is Dibenzanthrone ; 5,10-Violanthrenedione ; Ahcovat dark blue bo ; Ahcovatdarkbluebo?; Amanthrene dark blue bo ; Amanthrene supra dark blue bo ; Amanthrenedarkbluebo ; Amanthrenesupradarkbluebo .

【Report】

Reported in EPA TSCA Inventory.

Supplier Location

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Diamond member Hangzhou Dayangchem Co., Ltd.
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Telephone:86-571-87048079

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