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

• CAS: 41105-35-5
• Catalog Number: ACM41105355
• Category: Organic & Printed Electronics
• Molecular Weight: 412.92
• Molecular Formula: C30H17Cl
• 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
• 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
• 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.
• H-Bond Acceptor: 0
• H-Bond Donor: 0
• 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