1,5-Diaminoanthraquinone (HCID 8513)

Names & identifiers

Preferred name: 1,5-Diaminoanthraquinone
IUPAC: 1,5-diaminoanthracene-9,10-dione
English name: 1,5-Diaminoanthraquinone
Molecular formula: C14H10N2O2
Molecular weight: 238.24

Names & synonyms

1,5-DIAMINOANTHRAQUINONE129-44-2Smoke Red F9,10-Anthracenedione, 1,5-diamino-C.I. Disperse Red II1,5-Diaminoanthrachinon1,5-Anthraquinonyldiamine1,5-Diamino-9,10-anthraquinone1,5-DaaAnthraquinone, 1,5-diamino-NSC-72133ZXX3HK358

Show more names

92.0%(N)smokeredfTIMTEC-BB SBB0007691,5-DIAMINOATHRAQUINONE,5-DIAMINOANTHRAQUINONE1,5-diamino-anthraquinon

NSC-63791NSC-507213RefChem:417178204-947-21,5-diaminoanthracene-9,10-dioneNSC 7213MFCD00001226NSC 63791

Database identifiers

CAS: 129-44-2
PubChem CID: 8513
DTXSID: DTXSID1059602
ChEMBL: CHEMBL90387
UNII: 3ZXX3HK358
EC Number: 204-947-2
Nikkaji: J2.267.365C、J3.625K

Properties

Computed structural properties

XLogP: 2.6
Topological polar surface area: 86.2 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 0
Heavy atoms: 18
Formal charge: 0
Complexity: 346

Experimental & physicochemical properties

Physical DescriptionRed odorless powder; [Alfa Aesar MSDS]

Physicochemical properties

Melting point: 300 °C · >300 °C (lit.)
Boiling point: 380.84 °C · 380.84°C (rough estimate)
Density: 1.1907 · 1.1907 (rough estimate)
refractive index: 1.65 · 1.6500 (estimate)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
form: powder to crystaline
pka: -0.66 · -0.66±0.20(Predicted)
color: Orange to Brown to Dark red
Water Solubility: Insoluble in water.
InChI: InChI=1S/C14H10N2O2/c15-9-5-1-3-7-11(9)14(18)8-4-2-6-10(16)12(8)13(7)17/h1-6H,15-16H2
InChIKey: VWBVCOPVKXNMMZ-UHFFFAOYSA-N
SMILES: C1(N)=C2C(C(=O)C3=C(C2=O)C=CC=C3N)=CC=C1
CAS DataBase Reference: 129 · 129-44-2(CAS DataBase Reference)
FDA UNII: 3 ZXX3HK358 · 3ZXX3HK358
EPA Substance Registry System: 9 · 9,10-Anthracenedione, 1,5-diamino- (129-44-2)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
target organs: Respiratory system
PPE: 95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-37/39
WGK Germany: 3 · 3
RTECS: 6400000 · CB6400000
TSCA: TSCA listed
HS Code: 29147000 · 29147000
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 43 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Regulatory InformationChemical: 9,10-Anthracenedione, 1,5-diamino-

Hazards SummaryA mild eye irritant; Causes liver, cardiac, and renal tubular changes in 10-day oral studies of rats; [RTECS] May cause eye irritation; [Alfa Aesar MSDS] See 1-Amino-2-methylanthraquinone.

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (97.7%)

Regulatory information

Regulatory InformationChemical: 9,10-Anthracenedione, 1,5-diamino-

Safety data

PPE: dust mask type N95 (US), Eyeshields, Gloves
wgk: 3
tsca: TSCA listed
rtecs: CB6400000
hs_code: 29147000
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-37/39
Storage Class: 11 - Combustible Solids
target organs: Respiratory system
Hazard statements: H315-H319-H335
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P261-P264-P271-P280-P302+P352-P305+P351+P338

Chemistry & industry

Uses & manufacturing

General Manufacturing Information9,10-Anthracenedione, 1,5-diamino-: ACTIVE

Applications · 2 items

Uses1,5-Diaminoanthraquinone (DAAQ) may be used in the preparation of vertical nanowire arrays. It may be used in the synthesis of poly(1,5-diaminoanthraquinone) (PDAA) particles, via chemically oxidative polymerization of DAAQ.

General Description1,5-Diaminoanthraquinone (DAAQ) is an organic dye compound. Rapid preparation of 1,5-diaminoanthraquinone nanofibers (DAAQNFs) decorated with small platinum nanoparticles (PtNPs) has been reported. The absorption and fluorescence spectra of DAAQ has been investigated in various organic solvents. Preparation of vertical organic nanowire arrays of DAAQ on solid substrates by a facile physical vapor transport method has been reported.

Upstream & downstream products

Upstream raw materials

Downstream products

Vat Orange 11

Suppliers50 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]

郑州阿尔法化工有限公司+86-18530059196 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

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

Related reactions

2 records

New reaction record

HRID 64622As reactantuspto-grants-1986_09

HRID 616857As productuspto-grants-1978_02

Linked notes

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Basic information