Grundinformationen
- CAS
27813-21-4- Standard-SMILES
O=C1NC(=O)C2=C1CCCC2- InChIKey
AFJWMGOTLUUGHF-UHFFFAOYSA-N- Summenformel
- C8H9NO2
- Durchschnittliche Molmasse
- 151,16 g/mol
- Monoisotopische Masse
- 151,06332853
Überblick
captan metabolite in fruit crops
Namen und Bezeichner
- Bevorzugter Name
- Tetrahydrophthalimide
- IUPAC
- 4,5,6,7-tetrahydroisoindole-1,3-dione
- Lokaler Name
- cis-4-Cyclohexen-1,2-dicarboximid
- Englischer Name
- cis-1,2,3,6-Tetrahydrophthalimide
- Summenformel
- C8H9NO2
- Molmasse
- 151.16
Namen und Synonyme
Cis-4-cycloxexene-1,2-dicarboximideRefChem:485679248-667-927813-21-4Tetrahydrophthalimide3,4,5,6-Tetrahydrophthalimide4720-86-94,5,6,7-Tetrahydro-1H-isoindole-1,3(2H)-dione1-Cyclohexene-1,2-dicarboximide1H-Isoindole-1,3(2H)-dione, 4,5,6,7-tetrahydro-MFCD01735122Phthalimide, tetrahydro-
Weitere Namen anzeigen
TETRAHYDROTHALIMIDEPhthalimide, tetrahydrocis-1,2,3,6-TetrahydrophthalimideCIS-1,2,3,6-tetrahudrophthalimidecis-4-Cyclohexene-1,2-dicarboximide1H-Isoindole-1,3(2H)-dione, tetrahydro-CIS-1,2,3,6-TETRAHYDROPHTHALIMIDE, 5GM, NEAT
4,5,6,7-tetrahydroisoindole-1,3-dione3,4,5,6-Tetrahydro phthalimideCYCLOHEXENE-1,2-DICARBOXIMIDEBRN 01363364R239Q5JK7NSC-2935615-21-10-00128 (Beilstein Handbook Reference)EINECS 225-211-7
Datenbank-Bezeichner
- CAS
27813-21-4、4720-86-9- PubChem CID
- 34024
- DTXSID
DTXSID90963771- UNII
- 4R239Q5JK7
- EC Number
- 225-211-7
- Nikkaji
- J48.235H
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 0,7
- Polarare Oberfläche (TPSA)
- 46,2 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 11
- Formalladung
- 0
- Komplexität
- 239
Experimentelle und physikochemische Eigenschaften
Pesticides
Pesticide (Tetrahydrophthalimide (THPI)) -> USDA PDB
Pesticide degradation product
Physikochemische Eigenschaften
- Schmelzpunkt
- 129 · 129-133 °C(lit.)
- Siedepunkt
- 273.17 °C · 273.17°C (rough estimate)
- Dichte
- 1.2023 · 1.2023 (rough estimate)
- Brechungsindex
- 1.581 · 1.5810 (estimate)
- InChI
- InChI=1/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+
- InChIKey
- CIFFBTOJCKSRJY-OLQVQODUNA-N
- SMILES
- C1(NC(=O)[C@@]2([H])CC=CC[C@@]12[H])=O |&1:4,10,r|
- CAS Datenbank
- 27813 · 27813-21-4(CAS DataBase Reference)
- EPA chemische Informationen
- Tetrahydrophthalimide (27813-21-4)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 25% (1 of 4) of reports.
Warning
H302 (75%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 4 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory InformationREACH registered substance: 3,4,5,6-tetrahydrophthalimide (EC: 225-211-7)
Hazard Classes and CategoriesAcute Tox. 4 (75%)
Toxikologische Informationen
USGS Health-Based Screening Levels for Evaluating Water-Quality
Tetrahydrophthalimide
Pesticide degradation product
Smith, C.D. and Nowell, L.H., 2024. Health-Based Screening Levels for evaluating water-quality data (3rd ed.). DOI:10.5066/F71C1TWP
Sicherheitsdaten
- wgk
- 3
- RTECS-Nr.
- GW4635000
Chemie und Industrie
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