Anthrimide

HCID 6700CAS 82-22-4

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Basic information

Standard SMILES: O=C1c2ccccc2C(=O)c2c(Nc3cccc4c3C(=O)c3ccccc3C4=O)cccc21
InChIKey: WITKIIIPSSFHST-UHFFFAOYSA-N
Molecular formula: C28H15NO4
Average molar mass: 429.4 g/mol
Monoisotopic mass: 429.10010796

Names & identifiers

Preferred name: Anthrimide
IUPAC: 1-[(9,10-dioxoanthracen-1-yl)amino]anthracene-9,10-dione
English name: 1,1'-DIANTHRIMIDE
Molecular formula: C28H15NO4
Molecular weight: 429.42

Names & synonyms

Anthrimide1,1'-Dianthrimide1,1'-IminodianthraquinoneDianthrimide1,1'-Dianthraquinonylamine1,1-Dianthrimid9,10-Anthracenedione, 1,1'-iminobis-Imino-1,1'-bianthraquinoneDi-1,1'-anthrachinonylamin1,1-Dianthrimid [Czech]Bis-(1-anthrachinonyl)aminNSC 7226

Show more names

DIANTHRAQUINONYLAMINE1,1'-DIANTHRIMIDE, 97+%DI(1-ANTHRAQUINOYL)AMINE1,1’-iminodi-anthraquinondi-1,1’-anthrachinonylamin

Bis-(1-anthrachinonyl)amin [Czech]ANTHRAQUINONE, 1,1'-IMINODI-Bis(1-anthraquinonyl)amineEINECS 201-405-7UNII-717ZXC72EADi-1,1'-anthrachinonylamin [Czech]BRN 2607016717ZXC72EA

Database identifiers

CAS: 82-22-4
PubChem CID: 6700
DTXSID: DTXSID4058865
UNII: 717ZXC72EA
EC Number: 201-405-7
Nikkaji: J4.609D

Properties

Computed structural properties

XLogP: 5.9
Topological polar surface area: 80.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 2
Heavy atoms: 33
Formal charge: 0
Complexity: 783

Experimental & physicochemical properties

Chemical ClassesDyes -> Anthraquinone Dyes

Physical DescriptionDeep red or lustrous coppery red solid; [Merck Index] Dark red powder; [Aldrich MSDS]

Physicochemical properties

Melting point: 300 °C · 300 °C
Boiling point: 544.01 °C · 544.01°C (rough estimate)
Density: 1.295 · 1.2950 (rough estimate)
refractive index: 1.629 · 1.6290 (estimate)
pka: -4.72 · -4.72±0.20(Predicted)
form: powder to crystal
color: Orange to Brown to Dark red
Merck: 14 · 14,690
CAS DataBase Reference: 82 · 82-22-4(CAS DataBase Reference)
FDA UNII: 717 ZXC72EA · 717ZXC72EA
EPA Substance Registry System: 9 · 9,10-Anthracenedione, 1,1'-iminobis- (82-22-4)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 320 · H320
Precautionary statements: 264 · P264-P305+P351+P338+P337+P313
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 37 · 37/39-26
WGK Germany: 3 · 3
RTECS: 7780000 · CB7780000
TSCA: TSCA listed
HS Code: 2922.39 · 2922.39.4500

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory.

Hazard information

Regulatory InformationChemical: 9,10-Anthracenedione, 1,1'-iminobis-

Hazards SummaryA mild skin and eye irritant; [RTECS] May cause irritation; [Aldrich MSDS]

Hazard Classes and CategoriesEye Irrit. 2 (100%)

Safety data

wgk: 3
tsca: TSCA listed
rtecs: CB7780000
hs_code: 2922.39.4500
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 37/39-26
Hazard statements: H320
Precautionary statements: P264-P305+P351+P338+P337+P313

Chemistry & industry

Uses & manufacturing

UsesUsed for the determination of boron and silicon; [Merck Index]

General Manufacturing Information9,10-Anthracenedione, 1,1'-iminobis-: ACTIVE

Applications · 1 item

UsesDetermination of boron. 1,1'-Dianthrimide is used as a 0.02% solution in Concentrated H2SO4. The olive-green solution turns blue in the presence of boron. The blue solution has an absorption max at 620 nm. Also used in the determination of silicon.