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Brc1cnc(nc1)C
Pyrimidine, 5-bromo-2-methyl-
CCCP1(=O)OP(=O)(CCC)OP(=O)(O1)CCC
1,3,5,2,4,6-Trioxatriphosphorinane, 2,4,6-tripropyl-, 2,4,6-trioxide
CC1(C)OB(OC1(C)C)B1OC(C(O1)(C)C)(C)C
2,2'-Bi-1,3,2-dioxaborolane, 4,4,4',4',5,5,5',5'-octamethyl-
O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.[Pd].[Pd]
Tris(dibenzylideneacetone)dipalladium
C1CCC(CC1)P(C1CCCCC1)C1CCCCC1.Cc1cc(C)c(c(c1)C)N1CCN(C1=[Ru](=Cc1ccccc1)(Cl)Cl)c1c(C)cc(cc1C)C
Ruthenium,[1,3-bis(2,4,6-trimethylphenyl)-2-imidazolidinylidene]dichloro(phenylmethylene)(tricyclohexylphosphine)-, (SP-5-41)-

Anthracene, 1-chloro-9,10-bis(phenylethynyl)-

Clc1cccc2c1c(C#Cc1ccccc1)c1c(c2C#Cc2ccccc2)cccc1 Request for Quotation
Chemical Name: Anthracene, 1-chloro-9,10-bis(phenylethynyl)-
CAS Number: 41105-35-5
Product Number: AG00BXCH(AGN-PC-0JPRE6)
Synonyms:
MDL No: MFCD00012047
Molecular Formula: C30H17Cl
Molecular Weight: 412.9090

Identification/Properties

Properties
MP:
203-205 °C(lit.)
BP:
495.25°C (rough estimate)
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Refractive Index:
1.6281 (estimate)
Computed Properties
Molecular Weight:
412.916g/mol
XLogP3:
9.1
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
0
Rotatable Bond Count:
4
Exact Mass:
412.102g/mol
Monoisotopic Mass:
412.102g/mol
Topological Polar Surface Area:
0A^2
Heavy Atom Count:
31
Formal Charge:
0
Complexity:
727
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information

GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum

Other Analytical Data

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Chemical Structure


The chemical structure of Anthracene, 1-chloro-9,10-bis(phenylethynyl)- (C30H17Cl) is as follows:

```
     Cl
     |
H-C-C-C-C-C-C-C-C-C-C-C-C-C-C-C-C-C-C-C-C-H
 | | | | | | | | | | | | | | | | | | | | |
H-C-C-C-C-C-C-C-C-C-C-C-C-C-C-C-C-C-C-C-C-H
   | | | | | | | | | | | | | | | | | | | |
   H H H H H H H H H H H H H H H H H H H H
```

This structure represents anthracene with a chlorine atom attached at the 1-position and phenylethynyl groups at the 9 and 10 positions.