2-(2,3-dihydro-1H-inden-2-yl)acetic Acid

HCID 5174955

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Grundinformationen

CAS: 37868-26-1
Standard-SMILES: O=C(O)CC1Cc2ccccc2C1
InChIKey: TULDPXYHBFBRGW-UHFFFAOYSA-N
Summenformel: C11H12O2
Durchschnittliche Molmasse: 176,21 g/mol
Monoisotopische Masse: 176,08372962

Namen und Bezeichner

Bevorzugter Name: 2-(2,3-dihydro-1H-inden-2-yl)acetic Acid
IUPAC: 2-(2,3-dihydro-1H-inden-2-yl)acetic acid
Englischer Name: 2-Indanylacetic acid
Summenformel: C11H12O2
Molmasse: 176.21

Namen und Synonyme

37868-26-12-(2,3-dihydro-1H-inden-2-yl)acetic AcidDTXSID10409166RefChem:1060732DTXCID803600182-INDANYLACETIC ACIDINDAN-2-YL-ACETIC ACIDMFCD00082653Indan-2-ylacetic acid2,3-DIHYDRO-1H-INDENE-2-ACETIC ACID1H-INDENE-2-ACETIC ACID, 2,3-DIHYDRO-2-indaneacetic acid

Weitere Namen anzeigen

2,3-dihydro-1H-inden-1-ylacetic acid

2,3-dihydro-1H-inden-2-ylacetic acid2-indan-2-ylacetic acidindan-2-acetic acidindan-2-yl acetic acid(indan-2-yl)acetic acid2-(indan-2-yl)acetic acidIndan-2-ylacetic acid 98%SCHEMBL1340255

Datenbank-Bezeichner

CAS: 37868-26-1
PubChem CID: 5174955
DTXSID: DTXSID10409166
EC Number: 670-419-7

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2
Polarare Oberfläche (TPSA): 37,3 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 2
Schwere Atome: 13
Formalladung: 0
Komplexität: 186

Physikochemische Eigenschaften

Schmelzpunkt: 91 · 91-93°C
Siedepunkt: 344.5 · 344.5±11.0 °C(Predicted)
Dichte: 1.169 · 1.169±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
pka: 4.7 · 4.70±0.10(Predicted)
Wasserlöslichkeit: Insoluble in water.
BRN: 2616409 · 2616409

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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

Aggregated GHS information provided per 4 reports by companies from 1 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.