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Picene (purified by sublimation)

Catalog Number
ACM213467-3
CAS Number
213-46-7
Product Name
Picene (purified by sublimation)
Structure
Category
Electronic Materials
Synonyms
Benzo[a]chrysene (purified by sublimation) (>99.9%)
IUPAC Name
picene
Molecular Weight
278.35
Molecular Formula
C22H14
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
InChI Key
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
Covalently-Bonded Unit Count
1
EC Number
205-918-7
Exact Mass
278.10955g/mol
Formal Charge
0
Hazard Statements
H351 : Suspected of causing cancer.
Heavy Atom Count
22
Log P
7.11 (LogP)
MDL Number
MFCD00215857
MeSH Entry Terms
benzo(a)chrysene;picene
Monoisotopic Mass
278.10955g/mol
NSC Number
406006
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.
Rotatable Bond Count
0
Signal Word
Warning
UNII
F70R8ZBR7T
XLogP3
7
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