Picene (purified by sublimation)
Catalog Number
ACM213467-3
CAS
213-46-7
IUPAC Name
picene
Synonyms
Benzo[a]chrysene (purified by sublimation) (>99.9%)
Molecular Weight
278.35
Molecular Formula
C22H14
Product Information
Canonical SMILES
C1=CC=C2C(=C1)C=CC3=C2C=CC4=C3C=CC5=CC=CC=C54
Inchi
InChI=1S/C22H14/c1-3-7-17-15(5-1)9-11-21-19(17)13-14-20-18-8-4-2-6-16(18)10-12-22(20)21/h1-14H
InChIKey
GBROPGWFBFCKAG-UHFFFAOYSA-N
Boiling Point
519.0 °C
Melting Point
366 °C
Purity
>99.9%(GC)
Solubility
1.55e-08 M
Appearance
White to Light yellow powder to crystal
storage
Store under inert gas
Complexity
361
Condition To Avoid
Light Sensitive,Air Sensitive,Heat Sensitive
Hazard Statements
H351 : Suspected of causing cancer.
Heavy Atom Count
22
MDL Number
MFCD00215857
Precautionary Statements
P501 : Dispose of contents/ container to an approved waste disposal plant.P202 : Do not handle until all safety precautions have been read and understood.P201 : Obtain special instructions before use.P280 : Wear protective gloves/ protective clothing/ eye protection/ face protection.P308 + P313 : IF exposed or concerned: Get medical advice/ attention.P405 : Store locked up.
Reaxys Registry Number
1912414
Rotatable Bond Count
0
Signal Word
Warning
Monoisotopic Mass
278.10955g/mol
Exact Mass
278.10955g/mol
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