Cyclopropaneacetic acid

HCID 138440CAS 5239-82-7

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Grundinformationen

Standard-SMILES: O=C(O)CC1CC1
InChIKey: KVVDRQDTODKIJD-UHFFFAOYSA-N
Summenformel: C5H8O2
Durchschnittliche Molmasse: 100,12 g/mol
Monoisotopische Masse: 100,0524295

Überblick

Cyclopropylacetic acid has been reported in Amanita virgineoides with data available.

Namen und Bezeichner

Bevorzugter Name: Cyclopropaneacetic acid
IUPAC: 2-cyclopropylacetic acid
Englischer Name: Cyclopropylacetic acid
Summenformel: C5H8O2
Molmasse: 100.12

Namen und Synonyme

5239-82-7Cyclopropaneacetic acidDTXSID60200403RefChem:129926DTXCID20122894Cyclopropylacetic acid2-cyclopropylacetic acidCyclopropyl acetic acidMFCD000415442-Cyclopropyl-acetic acidCyclopropylaceticacidcyclopropyl-acetic acid

Weitere Namen anzeigen

2-Cyclopropaneacetic acidTIMTEC-BB SBB005442RARECHEM AL BO 1300Cyclopropylaceticacid,97%Cyclopropylacetic acid 95%Enavogliflozin Impurity 46

AKOS008105104F2191-0128(Carboxymethyl)cyclopropanecyclopropyl-aceti2-CYCLOPROPYLETHANOIC ACIDAS06096Acetic cyclopropyl acid2-cyclopropyl acetic acid

Datenbank-Bezeichner

CAS: 5239-82-7
PubChem CID: 138440
DTXSID: DTXSID60200403
EC Number: 670-932-6
Nikkaji: J80.982I

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,8
Polarare Oberfläche (TPSA): 37,3 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 2
Schwere Atome: 7
Formalladung: 0
Komplexität: 84,1

Physikochemische Eigenschaften

Siedepunkt: 86 · 86-87°C 9mm
Dichte: 1 · 1,076 g/cm3
Brechungsindex: 1.435 · 1.4350
Flammpunkt: 93 °C · 93°C
storage temp.: Sealed in dry,Room Temperature
Löslichkeit: Chloroform (Slightly), Methanol (Slightly)
Aggregatzustand: Oil
pka: 4.76 · 4.76±0.10(Predicted)
Farbe: Clear Colourless
BRN: 2323311 · 2323311
InChI: InChI=1S/C5H8O2/c6-5(7)3-4-1-2-4/h4H,1-3H2,(H,6,7)
InChIKey: KVVDRQDTODKIJD-UHFFFAOYSA-N
SMILES: C1(CC(O)=O)CC1
CAS Datenbank: 5239 · 5239-82-7(CAS DataBase Reference)
NIST chemische Informationen: Cyclopropaneacetic acid(5239-82-7)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H302 (89.7%): Harmful if swallowed [Warning Acute toxicity, oral]

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

Aggregated GHS information provided per 78 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (89.7%)

Sicherheitsdaten

wgk: 3
ridadr: 3265
hs_code: 29162000
risk_code: 34-41-37/38-22
hazard_code: C
safety_code: 26-36/37/39-45-39
hazard_class: 8
packing_group: II
Speicherklasse: 8A - Combustible corrosive hazardous materials
Hazard Classifications: Eye Dam. 1Skin Corr. 1B

Chemie und Industrie

Anwendungen · 1 Eintrag

VerwendenCyclopropylacetic Acid is used in the synthesis of many organic compounds. Such compounds include Cyproconazole which is an agricultural fungicide and also in synthesis of potent nicotinic acid receptor agonists used in treatment of Dyslipidemia.