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1217-45-4

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1217-45-4 Structure

1217-45-4 Structure
IdentificationMore
[Name]

9,10-DICYANOANTHRACENE
[CAS]

1217-45-4
[Synonyms]

9,10-ANTHRACENEDICARBONITRILE
9,10-DICYANOANTHRACENE
ANTHRACENE-9,10-DICARBONITRILE
DCA
RARECHEM AQ BD AN07
9,10-Dicyanoanthracen
DCAsensitizer
9,10-ANTHRACENEDICARBONITRILE 99%
[Molecular Formula]

C16H8N2
[MDL Number]

MFCD00041733
[Molecular Weight]

228.25
[MOL File]

1217-45-4.mol
Chemical PropertiesBack Directory
[Appearance]

YELLOW TO GOLDEN YELLOW NEEDLES OR POWDER
[Melting point ]

340 °C(lit.)
[Boiling point ]

360.06°C (rough estimate)
[density ]

1.2027 (rough estimate)
[refractive index ]

1.5635 (estimate)
[storage temp. ]

Sealed in dry,Room Temperature
[form ]

powder to crystal
[color ]

Light yellow to Yellow
[BRN ]

1646384
[InChI]

InChI=1S/C16H8N2/c17-9-15-11-5-1-2-6-12(11)16(10-18)14-8-4-3-7-13(14)15/h1-8H
[InChIKey]

BIOPPFDHKHWJIA-UHFFFAOYSA-N
[SMILES]

C1=C2C(C(C#N)=C3C(=C2C#N)C=CC=C3)=CC=C1
[CAS DataBase Reference]

1217-45-4(CAS DataBase Reference)
[EPA Substance Registry System]

9,10-Anthracenedicarbonitrile (1217-45-4)
Safety DataBack Directory
[Symbol(GHS) ]

Skull and Crossbones (GHS06)Exclamation Mark (GHS07)
GHS06,GHS07
[Signal word ]

Danger
[Hazard statements ]

H301+H311+H331-H315-H319
[Precautionary statements ]

P261-P264-P270-P271-P280-P301+P310+P330-P302+P352+P312+P361+P364-P304+P340+P311-P305+P351+P338+P337+P313-P403+P233-P405-P501
[Hazard Codes ]

Xn
[Risk Statements ]

R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
[Safety Statements ]

S22:Do not breathe dust .
S24/25:Avoid contact with skin and eyes .
[RIDADR ]

3439
[WGK Germany ]

3
[TSCA ]

TSCA listed
[HazardClass ]

6.1
[PackingGroup ]

III
[HS Code ]

29269095
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Chemical Properties]

YELLOW TO GOLDEN YELLOW NEEDLES OR POWDER
[Uses]

9,10-Anthracenedicarbonitrile may be used as photosensitizer to investigate the photoisomerization of trans-stilbene (TS) in sodium dodecyl sulfate (SDS)/benzyl alcohol (BA)/H2O system.
[Definition]

ChEBI: An anthracenedinitrile carrying cyano groups at positions 9 and 10.
[General Description]

9,10-Anthracenedicarbonitrile (DCA, ADC) is an anthracene derivative. Photochemical reactions of DCA in MeCN-MeOH or MeCN-H2O containing hydroxides or methoxides affords 9-methylimino-10-anthracenecarbonitrile. It participates in the generation of nucleophilic α-hydroxymethyl radicals from α-silyl ethers by irradiation. Binding energy of 9,10-anthracenedicarbonitrile adsorbed onto graphene is -1.23eV.
[Purification Methods]

Recrystallise the dinitrile twice from pyridine [Mattes & Farid J Am Chem Soc 108 7356 1986]. [Beilstein 9 IV 3667.]
Spectrum DetailBack Directory
[Spectrum Detail]

9,10-DICYANOANTHRACENE(1217-45-4)MS
9,10-DICYANOANTHRACENE(1217-45-4)1HNMR
9,10-DICYANOANTHRACENE(1217-45-4)IR1
9,10-DICYANOANTHRACENE(1217-45-4)IR2
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

9,10-Anthracenedicarbonitrile, 99%(1217-45-4)
[Sigma Aldrich]

1217-45-4(sigmaaldrich)
[TCI AMERICA]

9,10-Dicyanoanthracene,>97.0%(T)(1217-45-4)
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