Benzene, 1,3-diethynyl-

HCID 123130CAS 1785-61-1

Grundinformationen

Standard-SMILES
C#Cc1cccc(C#C)c1
InChIKey
PNXLPYYXCOXPBM-UHFFFAOYSA-N
Summenformel
C10H6
Durchschnittliche Molmasse
126,15 g/mol
Monoisotopische Masse
126,04695019

Namen und Bezeichner

Bevorzugter Name
Benzene, 1,3-diethynyl-
IUPAC
1,3-diethynylbenzene
Englischer Name
1,3-DIETHYNYLBENZENE
Summenformel
C10H6
Molmasse
126.15

Namen und Synonyme

1,3-Diethynylbenzene1785-61-1Benzene, 1,3-diethynyl-M-DIETHYNYLBENZENEDTXSID20170491RefChem:562294DTXCID2092982628-564-9InChI=1/C10H6/c1-3-9-6-5-7-10(4-2)8-9/h1-2,5-8MFCD00041686Benzene,1,3-diethynyl-1,3-Diethynylbenzene, 97%
Weitere Namen anzeigen
M-diacetylphenyl1,3-diethynylbenzem-DiethylnylbenzeneTIMTEC-BB SBB008746m-Phenylenediacetylene1,3-Bis(ethynyl)benzene1,3-Diethynylbenzene>
AKOS006223442AS-46667E10067EN300-1842440AMY38468PNXLPYYXCOXPBFT-0628177A812383

Datenbank-Bezeichner

CAS
1785-61-1
PubChem CID
123130
DTXSID
DTXSID20170491
ChEMBL
CHEMBL449036
EC Number
628-564-9
Nikkaji
J80.318I

Eigenschaften

Berechnete Struktureigenschaften

XLogP
2,8
Polarare Oberfläche (TPSA)
0 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
0
Frei drehbare Bindungen
2
Schwere Atome
10

Physikochemische Eigenschaften

Schmelzpunkt
-3 °C · -3°C
Siedepunkt
188 · 188-189 °C (lit.)
Dichte
0.949 g/mL · 0.949 g/mL at 25 °C (lit.)
Brechungsindex
20 · n20/D 1.5820(lit.)
Flammpunkt
165 °F · 165 °F
storage temp.
2 · 2-8°C

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 3 Einträge

This chemical does not meet GHS hazard criteria for 97.5% (39 of 40) of all reports.

Not Classified;Reported as not meeting GHS hazard criteria by 39 of 40 companies (only 2.5% companies provided GHS information). For more detailed information, please visit ECHA C&L website.

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory.;Reported as not meeting GHS hazard criteria per 39 of 40 reports by companies.;There is 1 notification provided by 1 of 40 reports by companies with hazard statement code(s).;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Gefahrenhinweise

Hazard Classes and CategoriesNot Classified

Sicherheitsdaten

wgk
3
ridadr
3295
hs_code
29029090
risk_code
36/37/38-23/24/25-11
hazard_code
F,T
safety_code
22-24/25-36/37/39-15-3/7/9

Chemie und Industrie

Anwendungen

Verwenden1,3-Diethynylbenzene may be used to synthesize mono- and di- 1,4-substituted-1,2,3-triazole ligands, which have the property to self-assemble into metallo-cyclic structures in the presence of silver ions.

Anbieter50 Anbieter

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湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

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