N-(5-Bromopentyl)phthalimide

HCID 136770CAS 954-81-4

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Grundinformationen

Standard-SMILES: O=C1c2ccccc2C(=O)N1CCCCCBr
InChIKey: QKVHAKICMNABGB-UHFFFAOYSA-N
Summenformel: C13H14BrNO2
Durchschnittliche Molmasse: 296,16 g/mol
Monoisotopische Masse: 295,02079079

Namen und Bezeichner

Bevorzugter Name: N-(5-Bromopentyl)phthalimide
IUPAC: 2-(5-bromopentyl)isoindole-1,3-dione
Englischer Name: N-(5-BROMOPENTYL)PHTHALIMIDE
Summenformel: C13H14BrNO2
Molmasse: 296.16

Namen und Synonyme

N-(5-Bromopentyl)phthalimideDTXSID90241824NSC 83526RefChem:162227DTXCID20164315QKVHAKICMNABGB-UHFFFAOYSA-N954-81-42-(5-bromopentyl)isoindole-1,3-dione2-(5-bromopentyl)isoindoline-1,3-dioneMFCD000605225-phthalimidopentyl bromide2-(5-Bromopentyl)-1H-isoindole-1,3(2H)-dione

Weitere Namen anzeigen

N-(5-Bromopentyl)phthalimide 95%N-(5-Bromopentyl)phthalimide,96%2-(5-bromopentyl)-2,3-dihydro-1H-isoindole-1,3-di one

STR073491H-Isoindole-1,3(2H)-dione, 2-(5-bromopentyl)-2-(5-bromopentyl)-2,3-dihydro-1H-isoindole-1,3-dioneSB64074B4986CS-0019374SR-010003254572-(5-Bromo-Pentyl)-Isoindole-1,3-Dione

Datenbank-Bezeichner

CAS: 954-81-4
PubChem CID: 136770
DTXSID: DTXSID90241824
EC Number: 674-061-2
Nikkaji: J1.555.139I

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,3
Polarare Oberfläche (TPSA): 37,4 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 5
Schwere Atome: 17
Formalladung: 0
Komplexität: 282

Physikochemische Eigenschaften

Schmelzpunkt: 58 °C · 58 °C
Siedepunkt: 393.1 · 393.1±25.0 °C(Predicted)
Dichte: 1.459 · 1.459±0.06 g/cm3 (20 ºC 760 Torr)
storage temp.: Sealed in dry,Room Temperature
Aggregatzustand: powder to crystal
pka: -2.13 · -2.13±0.20(Predicted)
Farbe: White to Light yellow
Wasserlöslichkeit: Insoluble in water.
BRN: 177015 · 177015
InChI: 1S/C13H14BrNO2/c14-8-4-1-5-9-15-12(16)10-6-2-3-7-11(10)13(15)17/h2-3,6-7H,1,4-5,8-9H2
InChIKey: QKVHAKICMNABGB-UHFFFAOYSA-N
SMILES: BrCCCCCN1C(=O)c2ccccc2C1=O
CAS Datenbank: 954 · 954-81-4(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (97.6%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (97.6%)

Sicherheitsdaten

wgk: 3
ridadr: UN 3077 9/PG 3
hs_code: 2933998090
risk_code: 36/37/38-50/53-43-22
hazard_code: Xi,N,Xn
safety_code: 26-36/37/39-61-60-36/37
hazard_class: IRRITANT
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Acute Tox. 4 OralAquatic Acute 1Eye Irrit. 2Skin Irrit. 2Skin Sens. 1STOT SE 3