CAS 24566-79-8 N-(6-Bromohexyl)phthalimide (HCID 141120)

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Basic information

CAS: 24566-79-8
Standard SMILES: O=C1c2ccccc2C(=O)N1CCCCCCBr
InChIKey: OAZFTIPKNPTDIO-UHFFFAOYSA-N
Molecular formula: C14H16BrNO2
Average molar mass: 310.19 g/mol
Monoisotopic mass: 309.03644

Names & identifiers

Preferred name: N-(6-Bromohexyl)phthalimide
IUPAC: 2-(6-bromohexyl)isoindole-1,3-dione
English name: N-(6-Bromohexyl)phthalimide
Molecular formula: C14H16BrNO2
Molecular weight: 310.19

Names & synonyms

N-(6-Bromohexyl)phthalimideDTXSID20179303NSC 28852RefChem:162262DTXCID10101794OAZFTIPKNPTDIO-UHFFFAOYSA-N24566-79-82-(6-Bromohexyl)isoindoline-1,3-dione1H-Isoindole-1,3(2H)-dione, 2-(6-bromohexyl)-2-(6-bromohexyl)isoindole-1,3-dioneMFCD000230982-(6-Bromohexyl)-1H-isoindole-1,3(2H)-dione

Show more names

N-(2-Bromohexyl)phthalimideN-(6-Bromohex-1-yl)phthalimideN-(6-Bromohexyl)phthalimide,97%1H-Isoindole-1,3(2H)-dione,2-(6-bromohexyl)-

2-(6-bromohexyl)-2,3-dihydro-1h-isoindole-1,3-dioneN-(6-Bromohexyl)-phthalimide6-(N-Phthalimido)Hexyl BromideNSC288522-(6-bromo-hexyl)-isoindole-1,3-dione6-phthalimidohexyl bromide1-bromo-6-phthalimidohexaneSCHEMBL98805

Database identifiers

CAS: 24566-79-8
PubChem CID: 141120
DTXSID: DTXSID20179303
EC Number: 674-071-7
Nikkaji: J1.633.919I

Properties

Computed structural properties

XLogP: 3.7
Topological polar surface area: 37.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 6
Heavy atoms: 18
Formal charge: 0
Complexity: 295

Physicochemical properties

Melting point: 55 °C · 55 °C
Boiling point: 186 · 186-188°C 0,4mm
Density: 1.414 · 1.414±0.06 g/cm3(Predicted)
Flash point: 186 · 186-188°C/0.4mm
storage temp.: Sealed in dry,Room Temperature
form: powder to crystal
pka: -2.12 · -2.12±0.20(Predicted)
color: White to Almost white
Water Solubility: Insoluble in water.
BRN: 186875 · 186875
InChI: InChI=1S/C14H16BrNO2/c15-9-5-1-2-6-10-16-13(17)11-7-3-4-8-12(11)14(16)18/h3-4,7-8H,1-2,5-6,9-10H2
InChIKey: OAZFTIPKNPTDIO-UHFFFAOYSA-N
SMILES: C1(=O)C2=C(C=CC=C2)C(=O)N1CCCCCCBr
CAS DataBase Reference: 24566 · 24566-79-8(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07