1,4-Diethynylbenzene

CAT: 0024-sc-223041ASize: 1 gDry Ice: NoHazardous: No

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CAT#:0024-sc-223041ASize:1 g

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CAS Number

935-14-8

Chemical Information

1,4-Diethynylbenzene

structure in first source

CAS Number	935-14-8
PubChem CID	120463
IUPAC Name	1,4-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	163

SMILES

C#CC1=CC=C(C=C1)C#C

InChI

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

InChIKey

MVLGANVFCMOJHR-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 935-14-8

CID: 120463

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	163
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
sc-222968A	1,3-Diethynylbenzene
sc-222968	1,3-Diethynylbenzene
sc-229831	1,4-Diethylbenzene
sc-485229	1,4-Dibromo-2,5-diethylbenzene
sc-347529	4- (1-aminoethyl) -N, N-diethylbenzene-1-sulfonamide hydrochloride
sc-347529A	4- (1-aminoethyl) -N, N-diethylbenzene-1-sulfonamide hydrochloride
sc-222966	1,3-Diethylbenzene
sc-253964	1,2-Diethylbenzene
sc-227539	Butane-1,1,1,4,4,4-d6
sc-351982	1,1,1,2,4,4,4-Heptafluorobutane

Catalog	Name
OR13101-01	1,4-Diethynylbenzene
65649980	1,3-Diethynylbenzene
OR49074	1,2-Diethynylbenzene
OR82691-01	2,5-Diethynylbenzene-1,4-diamine
OR1042599-01	1,4-Dibutoxy-2,5-diethynylbenzene
OR1055613-01	2,5-Diethynylbenzene-1,4-diol
OR84823-01	1,4-Diethoxy-2,5-diethynylbenzene
OR92722-01	1,4-Bis (dodecyloxy) -2,5-diethynylbenzene
OR1009400-01	1-Bromo-3,5-Diethynylbenzene
D25170-01	M-Diethynylbenzene 97%