DCJTB
Catalog Number
ACM200052706-3
CAS
200052-70-6
IUPAC Name
2-[2-tert-butyl-6-[(E)-2-(4,4,10,10-tetramethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)ethenyl]pyran-4-ylidene]propanedinitrile
Synonyms
2-tert-Butyl-4-(dicyanomethylene)-6-[2-(1,1,7,7-tetramethyljulolidin-9-yl)vinyl]-4H-pyran
Application
Red dopant for white organic light emitting diodes (OLEDs).
Molecular Weight
453.63
Molecular Formula
C30H35N3O
Product Information
Description
Alfa Chemistry offers high-purity DCJTB products for various research purposes. Please contact us by email if you do not find the specification you are looking for on this page.
Canonical SMILES
CC(CC1)(C)C2=C(N1CCC3(C)C)C3=CC(/C=C/C4=CC(C=C(C(C)(C)C)O4)=C(C#N)C#N)=C2
Inchi
InChI=1S/C30H35N3O/c1-28(2,3)26-17-21(22(18-31)19-32)16-23(34-26)9-8-20-14-24-27-25(15-20)30(6,7)11-13-33(27)12-10-29(24,4)5/h8-9,14-17H,10-13H2,1-7H3/b9-8+
InChIKey
HXWWMGJBPGRWRS-CMDGGOBGSA-N
Boiling Point
191 °C
Melting Point
191 °C
Purity
>98.0%(HPLC)(N)
Appearance
Orange to Brown to Dark red powder to crystal
storage
Store under inert gas
Complexity
1010
Condition To Avoid
Light Sensitive,Air Sensitive
Hazard Statements
H302 : Harmful if swallowed.H315 : Causes skin irritation.H319 : Causes serious eye irritation.
Heavy Atom Count
34
MDL Number
MFCD01321202
Precautionary Statements
P501 : Dispose of contents/ container to an approved waste disposal plant.P270 : Do not eat, drink or smoke when using this product.P264 : Wash skin thoroughly after handling.P280 : Wear protective gloves/ eye protection/ face protection.P337 + P313 : If eye irritation persists: Get medical advice/ attention.P305 + P351 + P338 : IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.P302 + P352 : IF ON SKIN: Wash with plenty of soap and water.P332 + P313 : If skin irritation occurs: Get medical advice/ attention.P362 : Take off contaminated clothing and wash before reuse.P301 + P312 + P330 : IF SWALLOWED: Call a POISON CENTER/doctor if you feel unwell. Rinse mouth.
Reaxys Registry Number
17612883
Rotatable Bond Count
3
Signal Word
Warning
Monoisotopic Mass
453.278013g/mol
Exact Mass
453.278013g/mol
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