cis-1,2,3,6-Tetrahydrophthalimide - CAS 1469-48-3
Catalog: |
BB010138 |
Product Name: |
cis-1,2,3,6-Tetrahydrophthalimide |
CAS: |
1469-48-3 |
Synonyms: |
1H-Isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-, (3aR,7aS)-rel-; 1H-Isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-, cis-; 4-Cyclohexene-1,2-dicarboximide, cis-; cis-4-Cyclohexene-1,2-dicarboximide; cis-Tetrahydrophthalimide; cis-Δ4-Tetrahydrophthalimide; NSC 41605 |
Related CAS: | 565227-54-5 (Deleted CAS) 1629012-96-9 (Deleted CAS) 1802684-60-1 (Deleted CAS) 2068715-78-4 (Deleted CAS)
|
IUPAC Name: | rel-(3aR,7aS)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione |
Molecular Weight: | 151.16 |
Molecular Formula: | C8H9NO2 |
Canonical SMILES: | O=C1NC(=O)C2CC=CCC12 |
InChI: | InChI=1S/C8H9NO2/c10-7-5-3-1-2-4-6(5)8(11)9-7/h1-2,5-6H,3-4H2,(H,9,10,11)/t5-,6+ |
InChI Key: | CIFFBTOJCKSRJY-OLQVQODUNA-N |
Boiling Point: | 142-146°C at 2 Torr |
Melting Point: | 136.5-137.3°C |
Purity: | ≥95% |
Density: | 1.228±0.06 g/cm3 |
Solubility: | Soluble in Methanol |
Appearance: | Pale Yellow or Light Beige to Yellow-brownish or Flakes Powder or Flakes |
Storage: | Store at RT under inert atmosphere |
MDL: | MFCD00005880 |
LogP: | 0.55400 |
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-111454196-A | Production and synthesis method of cis-1, 2,3, 6-tetrahydrophthalimide | 20200512 |
CN-113307977-A | Dispersant polymers and compositions including the same | 20200226 |
EP-3872140-A1 | Dispersant polymer and composition comprising the same | 20200226 |
US-2021261719-A1 | Dispersant polymer and composition comprising the same | 20200226 |
JP-2021112859-A | Resin composition for mold cleaning | 20200117 |
PMID | Publication Date | Title | Journal |
21121628 | 20101222 | Bacterial degradation of fungicide captan | Journal of agricultural and food chemistry |
18326518 | 20080401 | Captan exposure and evaluation of a pesticide exposure algorithm among orchard pesticide applicators in the Agricultural Health Study | The Annals of occupational hygiene |
Complexity: | 221 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 2 |
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: | 0.2 |
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