Grundinformationen
- Standard-SMILES
O=C(C1COc2ccccc2O1)N1CCNCC1- InChIKey
FLUPDJNTYCSBJZ-UHFFFAOYSA-N- Summenformel
- C13H16N2O3
- Durchschnittliche Molmasse
- 248,28 g/mol
- Monoisotopische Masse
- 248,11609238
Namen und Bezeichner
- Bevorzugter Name
- N-1,4-Benzodioxane-2-carbonyl piperazine
- IUPAC
- 2,3-dihydro-1,4-benzodioxin-3-yl(piperazin-1-yl)methanone
- Englischer Name
- 1-(1,4-Benzodioxane-2-carbonyl)piperazine
- Summenformel
- C13H16N2O3
- Molmasse
- 248.28
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
70918-00-2- PubChem CID
- 2735449
- UNII
- 53FEH46OYE
- EC Number
- 700-374-1
- Nikkaji
- J1.082.664K
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 0,7
- Polarare Oberfläche (TPSA)
- 50,8 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 18
- Formalladung
- 0
- Komplexität
- 305
Physikochemische Eigenschaften
- Schmelzpunkt
- 103 to · 103.0 to 107.0 °C
- Siedepunkt
- 437.2 · 437.2±45.0 °C(Predicted)
- Dichte
- 1.246 · 1.246±0.06 g/cm3(Predicted)
- Löslichkeit
- soluble in Methanol
- pka
- 8.32 · 8.32±0.10(Predicted)
- Aggregatzustand
- Powder
- Farbe
- White to Light yellow
- CAS Datenbank
- 70918 · 70918-00-2(CAS DataBase Reference)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 7.1% (1 of 14) of reports.
Danger
H301 (64.3%): Toxic if swallowed [Danger Acute toxicity, oral];H302 (14.3%): Harmful if swallowed [Warning Acute toxicity, oral];H311 (64.3%): Toxic in contact with skin [Danger Acute toxicity, dermal];H315 (28.6%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (28.6%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H331 (64.3%): Toxic if inhaled [Danger Acute toxicity, inhalation];H335 (21.4%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation];H373 (64.3%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure];H411 (64.3%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P260, P261, P262, P264, P264+P265, P270, P271, P273, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 14 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 1 of 14 reports by companies.;There are 5 notifications provided by 13 of 14 reports by companies with hazard statement code(s).;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
Regulatorische Informationen
Sicherheitsdaten
- hs_code
- 2933.59.9500
- risk_code
- 23/24/25-48/22-51/53
- hazard_code
- Xi,N,T
- safety_code
- 53-45-61
- hazard_class
- IRRITANT
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