1,2-Diethynylbenzene

CAT: 0127-OR49074Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR49074Size:250 mg

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CAS Number

21792-52-9

MDL Number

MFCD28164040

Purity

=95%

Smiles

C#Cc1ccccc1C#C

Chemical Information

1,2-Diethynylbenzene

CAS Number	21792-52-9
PubChem CID	140862
IUPAC Name	1,2-diethynylbenzene
Molecular Formula	C10H6
Molecular Weight	126.15
XLogP	2.4
Topological Polar Surface Area	0
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	2
Heavy Atom Count	10
Formal Charge	0
Complexity	171

SMILES

C#CC1=CC=CC=C1C#C

InChI

InChI=1S/C10H6/c1-3-9-7-5-6-8-10(9)4-2/h1-2,5-8H

InChIKey

CBYDUPRWILCUIC-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 21792-52-9

CID: 140862

Formula: C10H6

MW: 126.15

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	126.15
XLogP3	2.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	2
Exact Mass	126.0469501914
Monoisotopic Mass	126.0469501914
Topological Polar Surface Area	0 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	171
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

Catalog	Name
OR13101-01	1,4-Diethynylbenzene
OR31042-01	1,3-Diethynylbenzene
OR82691-01	2,5-Diethynylbenzene-1,4-diamine
OR84823-01	1,4-Diethoxy-2,5-diethynylbenzene
OR1042599-01	1,4-Dibutoxy-2,5-diethynylbenzene
OR1055613-01	2,5-Diethynylbenzene-1,4-diol
OR92722-01	1,4-Bis (dodecyloxy) -2,5-diethynylbenzene
OR1009400-01	1-Bromo-3,5-Diethynylbenzene
OR1098734	1-Bromo-2,4-diethylbenzene
OR1099722	2-bromo-1,4-diethylbenzene

Catalog	Name
sc-223041	1,4-Diethynylbenzene
65649980	1,3-Diethynylbenzene
D25170-01	M-Diethynylbenzene 97%
RG-E141219-01	1,1,2,2-Tetraethyl 1,1,2,2-ethanetetracarboxylate
RG-E140468-01	1,1,1,2,2,2-hexamethyldisilane
JH432361	1,1,1,2-tetrafluoro-2- (1,2,2,2-tetrafluoroethoxy) ethane
JH920109	2-Bromo-1,1':2',1'':2'',1'''-quaterphenyl
JH920110	[1,1′:2′,1′′:2′′,1′′′-Quaterphenyl]-2-amine
sc-477150	1,1':2',1'':2'',1'''-Quaterphenyl
HY-W131797-01	1-Iodoethane-1,1,2,2,2-d5