1,4-Diamino-2,3-dihydroanthraquinone

HCID 6687CAS 81-63-0

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Basic information

Standard SMILES: N=C1CCC(=N)c2c1c(O)c1ccccc1c2O
InChIKey: SSGALQHXKMAJTL-UHFFFAOYSA-N
Molecular formula: C14H12N2O2
Average molar mass: 240.26 g/mol

Names & identifiers

Preferred name: 1,4-Diamino-2,3-dihydroanthraquinone
English name: 1,4-Diamino-2,3-dihydroanthraquinone
Molecular formula: C14H12N2O2
Molecular weight: 240.26

Names & synonyms

Nsc23123solventviolet47c.i.solventviolet471,4-Diamino-2,3-dihySmoke Royal PurpleC.I.Solvent Violet 47:C.I.616901,4-Diaminoanthraquinoneleucoform2,3-dihydro-1,4-diamino-anthraquinon1 4-DIAMINO-2 3-DIHYDROANTHRAQUINONE2,3-Dihydro-1,4-diaMino anthraquinone

Database identifiers

CAS: 81-63-0
PubChem CID: 6687
ChEMBL: CHEMBL3392069
UNII: U46FO9XL97
Nikkaji: J192.590C、J710.757I

Properties

Physicochemical properties

Melting point: 190 °C · >190°C (dec.)
Boiling point: 382.97 °C · 382.97°C (rough estimate)
Density: 1.1613 · 1.1613 (rough estimate)
refractive index: 1.618 · 1.6180 (estimate)
storage temp.: -20 °C · -20°C Freezer, Under Inert Atmosphere
solubility: DMSO (Slightly), Methanol (Slightly)
form: Solid
pka: 5.11 · 5.11±0.20(Predicted)
color: Very Dark Green to Very Dark Brown
InChI: InChI=1S/C14H12N2O2/c15-9-5-6-10(16)12-11(9)13(17)7-3-1-2-4-8(7)14(12)18/h1-4H,5-6,15-16H2
InChIKey: SSGALQHXKMAJTL-UHFFFAOYSA-N
SMILES: C1(N)=C2C(C(=O)C3=C(C2=O)C=CC=C3)=C(N)CC1
CAS DataBase Reference: 81 · 81-63-0(CAS DataBase Reference)
EWG's Food Scores: 1 · 1
FDA UNII: 46 FO9XL97 · U46FO9XL97
NIST Chemistry Reference: 9 · 9,10-Anthracenedione, 1,4-diamino-2,3-dihydro-(81-63-0)
EPA Substance Registry System: 9 · 9,10-Anthracenedione, 1,4-diamino-2,3-dihydro- (81-63-0)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H317
Precautionary statements: 280 · P280
TSCA: TSCA listed

Safety & regulation

Safety data

tsca: TSCA listed
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302-H317
Precautionary statements: P280

Chemistry & industry

Applications · 3 items

Description1,4-Diamino-2,3-dihydroanthraquinone (DDA) is a dark purple needle crystal. It is insoluble in water, but soluble in benzene, pyridine, nitrobenzene, and aniline. Can be used to prepare purple smoke bombs. It is highly susceptible to oxidation to 1,4-diaminoanthraquinone (DAA) in the air or during smoke bomb burning. DDA is a weak mutagen in the Salmonella Reversin Assay, and a combustion or oxidation product in the same test, and DAA is a strong mutagen.

UsesLeuco-1,4-diaminoanthraquinone (leucamine) is an important precursor for 1,4-diaminoanthraquinone.

UsesAn anthraquinone-derived dye. A product from the combustion of red and violet smoke mixtures.

Upstream & downstream products

Upstream raw materials

Downstream products

VAT BLACK 27 Vat Brown BR PLUMBAGIN Disperse purple H-FRL

Suppliers50 total

Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]

深圳市星凯越生物科技有限公司0755-18589069862 18589069862 · [email protected]

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

合肥翰刚医药科技有限公司+8618062405514 · [email protected]

杭州景优化工有限公司87211835 13957193240 · [email protected]

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