N-(Bromomethyl)phthalimide - CAS 5332-26-3
Catalog: |
BB028141 |
Product Name: |
N-(Bromomethyl)phthalimide |
CAS: |
5332-26-3 |
Synonyms: |
2-(bromomethyl)isoindole-1,3-dione |
IUPAC Name: | 2-(bromomethyl)isoindole-1,3-dione |
Description: | N-(Bromomethyl)phthalimide (CAS# 5332-26-3) is a useful research chemical. |
Molecular Weight: | 240.05 |
Molecular Formula: | C9H6BrNO2 |
Canonical SMILES: | C1=CC=C2C(=C1)C(=O)N(C2=O)CBr |
InChI: | InChI=1S/C9H6BrNO2/c10-5-11-8(12)6-3-1-2-4-7(6)9(11)13/h1-4H,5H2 |
InChI Key: | UUSLLECLCKTJQF-UHFFFAOYSA-N |
Boiling Point: | 318.9 °C at 760 mmHg |
Melting Point: | 149-154 °C |
Purity: | > 96.0 % (T) |
Density: | 1.754 g/cm3 |
Appearance: | White solid |
Storage: | Keep container closed when not in use. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. |
MDL: | MFCD00005897 |
LogP: | 1.57290 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
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PMID | Publication Date | Title | Journal |
22381785 | 20120601 | Density functional theory, comparative vibrational spectroscopic studies, NBO, HOMO-LUMO analyses and thermodynamic functions of N-(bromomethyl)phthalimide and N-(chloromethyl)phthalimide | Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy |
21587604 | 20100925 | 2-(1,3-Dioxoisoindolin-2-yl)acetonitrile | Acta crystallographica. Section E, Structure reports online |
21201762 | 20080820 | N-(1H-1,2,3-Benzotriazol-1-ylmeth-yl)phthalimide | Acta crystallographica. Section E, Structure reports online |
21201732 | 20080813 | N-(Imidazol-1-ylmeth-yl)phthalimide | Acta crystallographica. Section E, Structure reports online |
21201716 | 20080809 | N-[(3,5-Dimethyl-pyrazol-1-yl)meth-yl]phthalimide | Acta crystallographica. Section E, Structure reports online |
Complexity: | 230 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 238.95819 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 238.95819 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 37.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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