1-Cyclopentene-1-carboxylic acid

HCID 95964CAS 1560-11-8
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Grundinformationen

Standard-SMILES
O=C(O)C1=CCCC1
InChIKey
PYRZPBDTPRQYKG-UHFFFAOYSA-N
Summenformel
C6H8O2
Durchschnittliche Molmasse
112,13 g/mol
Monoisotopische Masse
112,05242949

Namen und Bezeichner

Bevorzugter Name
1-Cyclopentene-1-carboxylic acid
IUPAC
cyclopentene-1-carboxylic acid
Englischer Name
1-Cyclopentenecarboxylic acid
Summenformel
C6H8O2
Molmasse
112.13

Namen und Synonyme

1-Cyclopentenecarboxylic acid1560-11-81-Cyclopentene-1-carboxylic acid1-Cyclopentenylcarboxylic acidCB 1684BRN 14463474-09-00-00109 (Beilstein Handbook Reference)DTXSID90166023NSC 44968RefChem:75511DTXCID3088514626-080-2
Weitere Namen anzeigen
cb1684opentenecarboxyL1-cyclopentenecarboxylate1-cyclopentenylcarboxylicacid
PYRZPBDTPRQYKG-UHFFFAOYSA-Ncyclopentene-1-carboxylic acidIsoaleprolic acidcyclopent-1-ene-1-carboxylic acidCyclopent-1-enecarboxylic acidMFCD00001396cyclopentenoic acidghl.PD_Mitscher_leg0.28

Datenbank-Bezeichner

CAS
1560-11-8
PubChem CID
95964
DTXSID
DTXSID90166023
ChEMBL
CHEMBL115179
EC Number
626-080-2
Nikkaji
J80.230A

Eigenschaften

Berechnete Struktureigenschaften

XLogP
1,2
Polarare Oberfläche (TPSA)
37,3 Ų
H-Brücken-Donoren
1
H-Brücken-Akzeptoren
2
Frei drehbare Bindungen
1
Schwere Atome
8

Physikochemische Eigenschaften

Schmelzpunkt
121 · 121-124 °C (lit.)
Siedepunkt
210 °C · 210°C
Dichte
1.0795 · 1.0795 (rough estimate)
Brechungsindex
1.457 · 1.4570 (estimate)
Flammpunkt
210 °C · 210°C
storage temp.
Sealed in dry,Room Temperature

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H314 (13.3%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H315 (86.7%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (86.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (86.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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

Aggregated GHS information provided per 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；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 CategoriesSkin Corr. 1B (13.3%)；Skin Irrit. 2 (86.7%)；Eye Irrit. 2 (86.7%)；STOT SE 3 (86.7%)

Sicherheitsdaten

wgk
3
ridadr
3261
hs_code
29162090
RTECS-Nr.
GY5976100
risk_code
36/37/38
hazard_code
Xi

Chemie und Industrie

Anwendungen

Verwenden1-Cyclopentenecarboxylic Acid can be used for enantioselective 1,3-dipolar cycloadditions of diazoacetates and solid-phase synthesis of substituted indolines. It can also be used to develop antagonists for A1- and A2-adenosine receptors.

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]
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]

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