1,2-Cyclopentanedicarboxylate

HCID 89554CAS 1461-97-8
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Grundinformationen

Standard-SMILES
O=C(O)C1CCCC1C(=O)O
InChIKey
ASJCSAKCMTWGAH-UHFFFAOYSA-N
Summenformel
C7H10O4
Durchschnittliche Molmasse
158,15 g/mol
Monoisotopische Masse
158,0579088

Überblick

RN given refers to (trans)-isomer; RN for cpd without isomeric designation not available 12/90

Namen und Bezeichner

Bevorzugter Name
1,2-Cyclopentanedicarboxylate
IUPAC
cyclopentane-1,2-dicarboxylic acid
Lokaler Name
trans-DL-Cyclopentan-1,2-dicarbonsure
Englischer Name
trans-DL-1,2-Cyclopentanedicarboxylic acid
Summenformel
C7H10O4
Molmasse
158.15

Namen und Synonyme

1,2-CyclopentanedicarboxylateRefChem:58096321917-20-4cyclopentane-1,2-dicarboxylic acid50483-99-31,2-Cyclopentanedicarboxylic acidMFCD00108792NSC139994Maybridge1_00231917224-73-6(1R,2R)-1,2-Cyclopentanedicarboxylic acid(1S,2S)-1,2-Cyclopentanedicarboxylic acid
Weitere Namen anzeigen
TRANS-1,2-CYCLOPENTANEDICARBOXYLIC ACID1,2-Cyclopentane DiforMic Acidtrans-DL-Cyclopentane-1,2-dicarbTranspentane-1,2-dicarboxylic acid1,2-cyclopentane dicarboxylic acidtrans-2-cyclopentanedicarboxylicacidrans-Cyclopentane-1,2-dicarboxylicaci1,2-CYCLOPENTANEDICARBOXYLIC ACID:98+%trans-Cyclopentane-1,2-dicarboxylic acidrans-DL-1,2-Cyclopentanedicarboxylic acid
DivK1c_001071SCHEMBL1527161,2-CyclopentanedicarboxylicaciSCHEMBL14875376HMS548B09cyclopentane-1,2-dicarboxylicacidACA48399CS-M0082

Datenbank-Bezeichner

CAS
1461-97-8、21917-20-4、50483-99-3
PubChem CID
89554
DTXSID
DTXSID40944515
EC Number
633-363-4
Nikkaji
J1.353.654F

Eigenschaften

Berechnete Struktureigenschaften

XLogP
0,3
Polarare Oberfläche (TPSA)
74,6 Ų
H-Brücken-Donoren
2
H-Brücken-Akzeptoren
4
Frei drehbare Bindungen
2
Schwere Atome
11

Physikochemische Eigenschaften

Schmelzpunkt
163 · 163-165 °C(lit.)
Siedepunkt
46 · 46-49 °C(Press: 110 Torr)
Dichte
1.396 · 1.396±0.06 g/cm3(Predicted)
storage temp.
Sealed in dry,Room Temperature
Löslichkeit
DMSO; Methanol
pka
1 · pK1:3.96;pK2:5.85 (25°C)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral]

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

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (97.5%)

Sicherheitsdaten

wgk
3
tsca
TSCA listed
hs_code
2917200090
Speicherklasse
11 - Combustible Solids

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwendentrans-1,2-Cyclopentanedicarboxylic Acid is used as a reagent in the synthesis of isoxazoline and oxazoline analogs of CDA54 as voltage gated sodium channel blockers. trans-1,2-Cyclopentanedicarboxylic Acid is also a reagent in the preparation of cyclopentanedicarboxamide sodium channel blockers as a potential treatment for chronic pain.

Anbieter50 Anbieter

郑州阿尔法化工有限公司+86-18530059196 · [email protected]
苏州道澜生物医药科技有限公司15952404857 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
合肥曼奇诺生物医药技术有限公司19719236623 · [email protected]

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