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1,3-Bis(dicyanomethylidene)indan

Catalog Number
ACM38172199
CAS Number
38172-19-9
Product Name
1,3-Bis(dicyanomethylidene)indan
Structure
Category
Charge Transfer Complexes; Electronic Materials; Molecular Conductors
Synonyms
1,3-Bis(dicyanomethylene)indan
IUPAC Name
2-[3-(dicyanomethylidene)inden-1-ylidene]propanedinitrile
Molecular Weight
242.24
Molecular Formula
C15H6N4
Canonical SMILES
C1C(=C(C#N)C#N)C2=CC=CC=C2C1=C(C#N)C#N
InChI
InChI=1S/C15H6N4/c16-6-10(7-17)14-5-15(11(8-18)9-19)13-4-2-1-3-12(13)14/h1-4H,5H2
InChI Key
HBZYYOYCJQHAEL-UHFFFAOYSA-N
Melting Point
366 °C
Purity
>98.0%(HPLC)(N)
Solubility
very slightly soluble in Methanol
Appearance
White to Gray to Brown powder to crystal
Storage
Store under inert gas
Complexity
575
Covalently-Bonded Unit Count
1
Exact Mass
242.059246g/mol
Formal Charge
0
Hazard Statements
H301 + H311 + H331 : Toxic if swallowed, in contact with skin or if inhaled.H315 : Causes skin irritation.H319 : Causes serious eye irritation.
Heavy Atom Count
19
MDL Number
MFCD00142514
MeSH Entry Terms
1,3-bis(dicyanomethylidene)indan
Monoisotopic Mass
242.059246g/mol
Precautionary Statements
P501 : Dispose of contents/ container to an approved waste disposal plant.P261 : Avoid breathing dust/ fume/ gas/ mist/ vapors/ spray.P270 : Do not eat, drink or smoke when using this product.P271 : Use only outdoors or in a well-ventilated area.P264 : Wash skin thoroughly after handling.P280 : Wear protective gloves/ protective clothing/ 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.P332 + P313 : If skin irritation occurs: Get medical advice/ attention.P362 : Take off contaminated clothing and wash before reuse.P301 + P310 + P330 : IF SWALLOWED: Immediately call a POISON CENTER/doctor. Rinse mouth.P302 + P352 + P312 : IF ON SKIN: Wash with plenty of water.Call a POISON CENTER/doctor if you feel unwell.P304 + P340 + P311 : IF INHALED: Remove person to fresh air and keep comfortable for breathing. Call a POISON CENTER/doctor.P403 + P233 : Store in a well-ventilated place. Keep container tightly closed.P405 : Store locked up.
Rotatable Bond Count
0
Signal Word
Danger
XLogP3
1.3
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