Butindisure

2-Butynedioic acid

HCID 371
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Grundinformationen

CAS
142-45-0
Standard-SMILES
O=C(O)C#CC(=O)O
InChIKey
YTIVTFGABIZHHX-UHFFFAOYSA-N
Summenformel
C4H2O4
Durchschnittliche Molmasse
114,06 g/mol
Monoisotopische Masse
113,99530854

Überblick

Butynedioic acid is an acetylenic compound that is acetylene in which the hydrogens are replaced by carboxy groups. It is a C4-dicarboxylic acid and an acetylenic compound. It is a conjugate acid of an acetylenedicarboxylate(1-).

Namen und Bezeichner

Bevorzugter Name
2-Butynedioic acid
IUPAC
but-2-ynedioic acid
Lokaler Name
Butindisure
Englischer Name
Acetylenedicarboxylic acid
Summenformel
C4H2O4
Molmasse
114.06

Namen und Synonyme

acetylenedicarboxylic acid142-45-02-butynedioic acidbut-2-ynedioic acidButynedioic acidNSC-1903NSC-6315972D2OJ4KO44DTXSID3059715CHEBI:30781RefChem:468155DTXCID9034608
Weitere Namen anzeigen
2-ButynedioateButyne acidbutynedioicaciAcetylen-dicarbonsαure
205-536-0acetylenedicarboxylate2-Butyne-1,4-dioic acidMFCD00004362acetylene dicarboxylic acid2-ButynedioicAcidNSC631597NSC 631597

Datenbank-Bezeichner

CAS
142-45-0
PubChem CID
371
DTXSID
DTXSID3059715
ChEMBL
CHEMBL1874364
ChEBI
CHEBI:30781
UNII
2D2OJ4KO44
EC Number
205-536-0
Nikkaji
J2.544E

Eigenschaften

Berechnete Struktureigenschaften

XLogP
0,1
Polarare Oberfläche (TPSA)
74,6 Ų
H-Brücken-Donoren
2
H-Brücken-Akzeptoren
4
Frei drehbare Bindungen
0
Schwere Atome
8

Experimentelle und physikochemische Eigenschaften

Chemical ClassesOther Classes -> Other Organic Compounds
SpringerMaterials PropertiesCrystal structure
Physical DescriptionBeige crystalline solid; [Sigma-Aldrich MSDS]

Physikochemische Eigenschaften

Schmelzpunkt
180 · 180-187 °C (dec.) (lit.)
Siedepunkt
133.5 °C · 133.5°C (rough estimate)
Dichte
1.1794 · 1.1794 (rough estimate)
Brechungsindex
1.526 · 1.5260 (estimate)
Flammpunkt
131 °C · 131 °C
storage temp.
2 · 2-8°C

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H301 (95.8%): Toxic if swallowed [Danger Acute toxicity, oral]

P260, P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 48 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information2-Butynedioic acid: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazards SummaryA skin and strong eye irritant; Toxic by ingestion; [Sigma-Aldrich MSDS] See Butynediol and Propiolic acid.
Hazard Classes and CategoriesAcute Tox. 3 (95.8%)

Sicherheitsdaten

wgk
3
tsca
TSCA listed
ridadr
UN 2811 6.1/PG 3
hs_code
29171990
risk_code
25-36/37/38
hazard_code
T,Xi

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing Information2-Butynedioic acid: ACTIVE
Anwendungen · 1 Eintrag

VerwendenAcetylenedicarboxylic acid is employed in the preparation of dimethyl acetylenedicarboxylate and potassium hydrogenacetylenedicarboxylate. It is also used as a laboratory reagent. Further, it is used as a precursor in organic synthesis and also serves as a pharmaceutical intermediate.

Vor- und nachgelagerte Produkte

Anbieter100 Anbieter

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
INTATRADE GmbH+49 3493/605464 · [email protected]

Ergänzende Hinweise

DefinitionChEBI: An acetylenic compound that is acetylene in which the hydrogens are replaced by carboxy groups.

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