2-(4-Bromo-3-oxobutyl)isoindoline-1,3-dione - CAS 51132-00-4
Catalog: |
BB027342 |
Product Name: |
2-(4-Bromo-3-oxobutyl)isoindoline-1,3-dione |
CAS: |
51132-00-4 |
Synonyms: |
2-(4-bromo-3-oxobutyl)isoindole-1,3-dione; 2-(4-bromo-3-oxobutyl)isoindole-1,3-dione |
IUPAC Name: | 2-(4-bromo-3-oxobutyl)isoindole-1,3-dione |
Description: | 2-(4-Bromo-3-oxobutyl)isoindoline-1,3-dione (CAS# 51132-00-4) is a useful research chemical. |
Molecular Weight: | 296.12 |
Molecular Formula: | C12H10BrNO3 |
Canonical SMILES: | C1=CC=C2C(=C1)C(=O)N(C2=O)CCC(=O)CBr |
InChI: | InChI=1S/C12H10BrNO3/c13-7-8(15)5-6-14-11(16)9-3-1-2-4-10(9)12(14)17/h1-4H,5-7H2 |
InChI Key: | PTPZBCHKQSHXQZ-UHFFFAOYSA-N |
Boiling Point: | 427.3 °C at 760 mmHg |
Density: | 1.614 g/cm3 |
Appearance: | Solid |
MDL: | MFCD04124730 |
LogP: | 1.57460 |
GHS Hazard Statement: | H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin] |
Precautionary Statement: | P261, P272, P273, P280, P302+P352, P321, P333+P313, P363, P391, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
BR-112019017309-A2 | PROTODESCARBOXILATION CATALYED BY TRANSITION METAL OF ALPHA-HALO-ACRYLIC ACID DERIVATIVES | 20170301 |
JP-2020509034-A | Transition metal catalyzed protodecarboxylation of α-halo-acrylic acid derivatives | 20170301 |
KR-20190125394-A | Transition Metal-catalyst Protocarboxylation of α-halo-acrylic Acid Derivatives | 20170301 |
US-10252994-B2 | Transition metal-catalyzed protocarboxylation of α-halo-acrylic acid derivatives | 20170301 |
US-10654803-B2 | Transition metal-catalyzed protodecarboxylation of alpha-halo-acrylic acid derivatives | 20170301 |
Complexity: | 332 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 294.98441 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 294.98441 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 54.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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