Diethyl-2-butindioat

Diethyl acetylenedicarboxylate

HCID 69803CAS 762-21-0
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Grundinformationen

Standard-SMILES
CCOC(=O)C#CC(=O)OCC
InChIKey
STRNXFOUBFLVIN-UHFFFAOYSA-N
Summenformel
C8H10O4
Durchschnittliche Molmasse
170,16 g/mol
Monoisotopische Masse
170,0579088

Namen und Bezeichner

Bevorzugter Name
Diethyl acetylenedicarboxylate
IUPAC
diethyl but-2-ynedioate
Lokaler Name
Diethyl-2-butindioat
Englischer Name
Diethyl acetylenedicarboxylate
Summenformel
C8H10O4
Molmasse
170.16

Namen und Synonyme

Diethyl acetylenedicarboxylate762-21-0Diethyl 2-butynedioateDTXSID20227055RefChem:587117DTXCID20149546212-095-8diethyl but-2-ynedioate2-Butynedioic acid, diethyl ester1,4-diethyl but-2-ynedioateDiethyl acetylene dicarboxylateMFCD00009186
Weitere Namen anzeigen
YL2-BUTYNEDIOATEDiethyl butyrateDiethyl acetylenedicdiethylbut-2-indioatBis(carboethoxy)acetyleneDiethyl but-2-yne-1,4-dioate
Acetylenedicarboxylic acid, diethyl esterdiethyl butynedioateBis-(Ethoxycarbonyl)acetyleneDi-Ethyl acetylenedicarboxylateNSC-67975Diethylacetylenedicarboxylatediethylacetylene dicarboxylateWLN: 2OV1UU1VO2

Datenbank-Bezeichner

CAS
762-21-0
PubChem CID
69803
DTXSID
DTXSID20227055
ChEMBL
CHEMBL4086918
UNII
BW8YXV5QMM
EC Number
212-095-8
Nikkaji
J102.338A

Eigenschaften

Berechnete Struktureigenschaften

XLogP
1,5
Polarare Oberfläche (TPSA)
52,6 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
4
Frei drehbare Bindungen
4
Schwere Atome
12

Experimentelle und physikochemische Eigenschaften

Physical DescriptionColorless liquid; [Alfa Aesar MSDS]

Physikochemische Eigenschaften

Schmelzpunkt
1 · 1-3 °C
Siedepunkt
107 · 107-110 °C11 mm Hg(lit.)
Dichte
1.063 g/mL · 1.063 g/mL at 25 °C(lit.)
Brechungsindex
20 · n20/D 1.443(lit.)
Flammpunkt
202 °F · 202 °F
storage temp.
2 · 2-8°C

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 47 reports by companies from 3 notifications to the ECHA C&L Inventory.；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

Regulatory InformationChemical: 2-Butynedioic acid, diethyl ester
Hazards SummaryCauses burns and lachrymation; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; [Alfa Aesar MSDS]
Hazard Classes and CategoriesSkin Corr. 1C (100%)

Toxikologische Informationen

Adverse EffectsDermatotoxin - Skin burns.；Lacrimator (Lachrymator) - A substance that irritates the eyes and induces the flow of tears.；Toxic Pneumonitis - Inflammation of the lungs induced by inhalation of metal fumes or toxic gases and vapors.

Regulatorische Informationen

Regulatory InformationChemical: 2-Butynedioic acid, diethyl ester

Sicherheitsdaten

F
8-10
wgk
3
ridadr
UN 3265 8/PG 2
hs_code
29171990
risk_code
34
hazard_code
C

Chemie und Industrie

Anwendungen · 1 Eintrag

VerwendenDiethyl acetylenedicarboxylate is used as a protein cross-linker. It is also used in the synthesis of 3,4,5-trisubstituted 2(5H)-furanone derivatives, highly functionalized thiazolidinone derivatives, novel cyclic peroxide glucosides and 4,11-dimesitylbisanthene, soluble bisanthene derivative, via Diels-Alder reaction.

Vor- und nachgelagerte Produkte

Anbieter50 Anbieter

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
山东前元高分子材料有限公司18678041314 18765609661 · [email protected]

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