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1-Chloro-9,10-bis(phenylethynyl)anthracene

Catalog Number
ACM41105355
CAS Number
41105-35-5
Product Name
1-Chloro-9,10-bis(phenylethynyl)anthracene
Structure
Category
Small Molecule Semiconductor Building Blocks
Synonyms
1-CHLORO-9,10-BIS(PHENYLETHYNYL)ANTHRACENE;1-CHLORO-BPEA;CBPEA;1-chloro-9,10-bis(phenylethynyl)-anthracen;1-CHLORO-9,10-BIS(PHENYLETHYNYL)ANTHRACENE 96+%;9,10-Bis(phenylethynl)-1-chloroanthracene;1-Chloro-9,10-bis(phenylethynyl)anthracene,97%;1-Chloro-9,1
IUPAC Name
1-chloro-9,10-bis(2-phenylethynyl)anthracene
Molecular Weight
412.92
Molecular Formula
C30H17Cl
Canonical SMILES
C1=CC=C(C=C1)C#CC2=C3C=CC=C(C3=C(C4=CC=CC=C42)C#CC5=CC=CC=C5)Cl
InChI
InChI=1S/C30H17Cl/c31-29-17-9-16-27-26(20-18-22-10-3-1-4-11-22)24-14-7-8-15-25(24)28(30(27)29)21-19-23-12-5-2-6-13-23/h1-17H
InChI Key
IMMCAKJISYGPDQ-UHFFFAOYSA-N
Melting Point
203 °C
Purity
>96.0%(HPLC)
Density
Light Sensitive
Appearance
Light yellow to Brown powder to crystal
Storage
Room temperature.
Complexity
727
Covalently-Bonded Unit Count
1
EC Number
255-220-1
Exact Mass
412.101878g/mol
Formal Charge
0
Hazard Statements
H315 : Causes skin irritation.H319 : Causes serious eye irritation.
Heavy Atom Count
31
MDL Number
MFCD00012047
Monoisotopic Mass
412.101878g/mol
Precautionary Statements
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.
Rotatable Bond Count
4
Signal Word
Warning
XLogP3
9.1
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