AG00BXCH

41105-35-5 | 1-Chloro-9,10-bis(phenylethynyl)anthracene

AG00BXCH

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CAS Number	41105-35-5
Catalog Number	AG00BXCH(AGN-PC-0JPRE6)
Chemical Name	1-Chloro-9,10-bis(phenylethynyl)anthracene
EC Number	255-220-1
IUPAC Name	1-chloro-9,10-bis(2-phenylethynyl)anthracene
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
MDL Number	MFCD00012047
Molecular Formula	C30H17Cl
Molecular Weight	412.9090
SMILES	ClC1=C2C(C#CC3=CC=CC=C3)=C4C=CC=CC4=C(C#CC5=CC=CC=C5)C2=CC=C1
Synonyms	1-Chloro-9,10-bis(phenylethynyl)anthracene, 41105-35-5, 1-Chloro-BPEA, Anthracene, 1-chloro-9,10-bis(phenylethynyl)-, 1-chloro-9,10-bis(2-phenylethynyl)anthracene, Anthracene, 9,10-bis(phenylethynyl)-1-chloro-, Anthracene, 1-chloro-9,10-bis(2-phenylethynyl)-, MFCD00012047, J-650376, Q-200120, C30H17Cl, 1-Chloro-BPEe, EINECS 255-220-1, CBPEA, 1-Cl-BPEe, AC1L55MZ, ACMC-1AN87, SCHEMBL432731, 1-Chloro-9,10-Bis-(Phenylethynl)Anthracene(CBPEA), DTXSID1068279, CTK3J1423, IMMCAKJISYGPDQ-UHFFFAOYSA-, KS-00000YEL, IMMCAKJISYGPDQ-UHFFFAOYSA-N, ZINC2539436, 5113AJ, ANW-29562, SBB008915, AKOS004910149, CB-1565, RTR-016346, VZ21379, ACM41105355, AK208829, CC-04376, OR350097, SY016015, 1-chloro-9,10-bis(phenylethynl)anthracene, DB-049715, TR-016346, 9,10-Bis(phenylethynyl)-1-chloroanthracene, C1289, FT-0621589, 9,10-Bis-(phenylethynyl)-1-chloroanthracene, MFCD00012047 (95%), 1-Chloro-9,10-bis(phenylethynyl)anthracene #, 9,10-bis(2-phenylethynyl)-1-chloroanthracene, 1-chloranyl-9,10-bis(2-phenylethynyl)anthracene, 1-Chloro-9,10-bis(phenylethynyl)anthracene, 99%, 105C355, A825434, C-21945, I06-1607, 1-CHLORO-9,10-bis-(PHENYLETHYNYL)ANTHRACENE, 98%, 1-ChloroBPEA;CBPEA ;1-chloro-9,10-bis(phenylethynl)anthracene (1-ChloroBPEA ), InChI=1/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, 1-Chloro-9,10-bis anthracene, C30-H17-Cl, CID170465, 1-Chloro-9,10-bis(phenylethynyl)anthracene, 97% - 1G 1g,

Complexity	727
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	412.102g/mol
Formal Charge	0
Heavy Atom Count	31
Hydrogen Bond Acceptor Count	0
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	412.916g/mol
Monoisotopic Mass	412.102g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	0A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	9.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
Signal Words	warning
UN Code

Certificate of Analysis

Lot Number