1,3,6,8-Tetraphenylpyrene

Catalog Number

ACM13638829-1

Product Name

1,3,6,8-Tetraphenylpyrene

Structure

CAS

13638-82-9

Category

Heterocyclic Organic Compound

Synonyms

1,3,6,8-TETRAPHENYLPYRENE

IUPAC Name

1,3,6,8-tetraphenylpyrene

Molecular Weight

506.63

Molecular Formula

C40H26

Canonical SMILES

C1=CC=C(C=C1)C2=CC(=C3C=CC4=C(C=C(C5=C4C3=C2C=C5)C6=CC=CC=C6)C7=CC=CC=C7)C8=CC=CC=C8

InChI

InChI=1S/C40H26/c1-5-13-27(14-6-1)35-25-36(28-15-7-2-8-16-28)32-23-24-34-38(30-19-11-4-12-20-30)26-37(29-17-9-3-10-18-29)33-22-21-31(35)39(32)40(33)34/h1-26H

InChI Key

SIJHJHYRYHIWFW-UHFFFAOYSA-N

Boiling Point

659.2 °C at 760 mmHg

Melting Point

299 °C

Appearance

Light orange to yellow to green powder to crystal

Storage

Store under inert gas

Complexity

672

Condition To Avoid

Light Sensitive,Air Sensitive

Covalently-Bonded Unit Count

1

Exact Mass

506.203451g/mol

Formal Charge

0

Hazard Statements

H372 : Causes damage to organs through prolonged or repeated exposure.H317 : May cause an allergic skin reaction.H334 : May cause allergy or asthma symptoms or breathing difficulties if inhaled.H350 : May cause cancer.

H-Bond Acceptor

0

H-Bond Donor

0

Heavy Atom Count

40

MDL Number

MFCD00021662

Monoisotopic Mass

506.203451g/mol

NSC Number

84256

Precautionary Statements

P501 : Dispose of contents/ container to an approved waste disposal plant.P260 : Do not breathe dust/ fume/ gas/ mist/ vapors/ spray.P270 : Do not eat, drink or smoke when using this product.P202 : Do not handle until all safety precautions have been read and understood.P285 : In case of inadequate ventilation wear respiratory protection.P201 : Obtain special instructions before use.P264 : Wash skin thoroughly after handling.P280 : Wear protective gloves/ protective clothing/ eye protection/ face protection.P272 : Contaminated work clothing must not be allowed out of the workplace.P308 + P313 : IF exposed or concerned: Get medical advice/ attention.P304 + P341 : IF INHALED: If breathing is difficult, remove person to fresh air and keep comfortable for breathing.P302 + P352 : IF ON SKIN: Wash with plenty of soap and water.P333 + P313 : If skin irritation or rash occurs: Get medical advice/ attention.P363 : Wash contaminated clothing before reuse.P405 : Store locked up.

Rotatable Bond Count

4

Signal Word

Danger

XLogP3

11.5

MSDS

COA

Spec Sheet