3,4,5,6-Tetrahydrophthalimide - CAS 4720-86-9
Catalog: |
BB026236 |
Product Name: |
3,4,5,6-Tetrahydrophthalimide |
CAS: |
4720-86-9 |
Synonyms: |
4,5,6,7-tetrahydroisoindole-1,3-dione; 4,5,6,7-tetrahydroisoindole-1,3-dione |
IUPAC Name: | 4,5,6,7-tetrahydroisoindole-1,3-dione |
Description: | 3,4,5,6-Tetrahydrophthalimide (CAS# 4720-86-9) is a useful research chemical. |
Molecular Weight: | 151.16 |
Molecular Formula: | C8H9NO2 |
Canonical SMILES: | C1CCC2=C(C1)C(=O)NC2=O |
InChI: | InChI=1S/C8H9NO2/c10-7-5-3-1-2-4-6(5)8(11)9-7/h1-4H2,(H,9,10,11) |
InChI Key: | AFJWMGOTLUUGHF-UHFFFAOYSA-N |
Boiling Point: | 324.3 °C / 760 mmHg |
Melting Point: | 168-172 °C |
Flash Point: | 158.1 °C |
Density: | 1.27 g/mL |
Appearance: | White to light yellow crystalline powder |
Storage: | Sealed in dry. Room temperature. |
MDL: | MFCD01735122 |
LogP: | 0.84220 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P280, P301+P312, P305+P351+P338, P330, P337+P313, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-111875533-A | Preparation method of N-hydroxymethyl-3, 4,5, 6-tetrahydrochysene imine | 20200630 |
JP-2021126877-A | Manufacturing method of molded product | 20200217 |
CN-110776636-A | Thermosetting resin based on imidazole dinitrile reactive groups and preparation method thereof | 20191015 |
CN-110776636-B | Thermosetting resin based on imidazole dinitrile reactive groups and preparation method thereof | 20191015 |
WO-2021063735-A1 | New bicyclic pyridine derivatives | 20191002 |
PMID | Publication Date | Title | Journal |
22906185 | 20120912 | Preformed biomarkers including dialkylphosphates (DAPs) in produce may confound biomonitoring in pesticide exposure and risk assessment | Journal of agricultural and food chemistry |
21979173 | 20120813 | Toxicokinetic modeling of captan fungicide and its tetrahydrophthalimide biomarker of exposure in humans | Toxicology letters |
21381057 | 20120301 | Toxicokinetics of captan and folpet biomarkers in orally exposed volunteers | Journal of applied toxicology : JAT |
21381058 | 20120301 | Toxicokinetics of captan and folpet biomarkers in dermally exposed volunteers | Journal of applied toxicology : JAT |
21919467 | 20111026 | Degradation of flumioxazin in illuminated water-sediment systems | Journal of agricultural and food chemistry |
Complexity: | 239 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 151.063328530 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 151.063328530 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 46.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.7 |
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