Fthalide

HCID 33791CAS 27355-22-2
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Grundinformationen

Standard-SMILES
O=C1OCc2c(Cl)c(Cl)c(Cl)c(Cl)c21
InChIKey
NMWKWBPNKPGATC-UHFFFAOYSA-N
Summenformel
C8H2Cl4O2
Durchschnittliche Molmasse
271,9 g/mol
Monoisotopische Masse
269,88089002

Überblick

4,5,6,7-tetrachloro-2-benzofuran-1(3H)-one is a member of the class of 2-benzofurans that is 2-benzofuran-1(3H)-one in which all or the hydrogens attached to the benzene ring are replaced by chlorines. A fungicide used for the control of rice blast, it is not approved for use within the European Union. It has a role as a melanin synthesis inhibitor and an antifungal agrochemical. It is a tetrachlorobenzene, an organic heterobicyclic compound, a propan-1-ol and a gamma-lactone. It is functionally related to a 2-benzofuran-1(3H)-one.

Namen und Bezeichner

Bevorzugter Name
Fthalide
IUPAC
4,5,6,7-tetrachloro-3H-2-benzofuran-1-one
Englischer Name
FTHALIDE
Summenformel
C8H2Cl4O2
Molmasse
271.91

Namen und Synonyme

Fthalidetetrachlorophthalide4,5,6,7-TETRACHLORO-3H-ISOBENZOFURAN-1-ONE44IHE2M2T44,5,6,7-tetrachloroisobenzofuran-1(3H)-oneDTXSID2058045RefChem:6013914,5,6,7-tetrachloro-1,3-dihydro-2-benzofuran-1-oneDTXCID803181327355-22-24,5,6,7-TETRACHLOROPHTHALIDEPhthalide, 4,5,6,7-tetrachloro-
Weitere Namen anzeigen
KF-32UX007BLASINUX 007UX-007RABCIDEFTHALIDIND106011bayer96610
4,5,6,7-Tetrachloro-2-benzofuran-1(3H)-one4,5,6,7-TETRACHLORO-PHTHALIDEPhthalide 13C64,5,6,7-TetrachlorophthalidefthalideBRN 01824774,5,6,7-tetrachloro-3H-2-benzofuran-1-oneUNII-44IHE2M2T4SCHEMBL27454

Datenbank-Bezeichner

CAS
27355-22-2
PubChem CID
33791
DTXSID
DTXSID2058045
ChEMBL
CHEMBL357452
ChEBI
CHEBI:47617
UNII
44IHE2M2T4
EC Number
608-088-8
Nikkaji
J1.881C

Eigenschaften

Berechnete Struktureigenschaften

XLogP
3,2
Polarare Oberfläche (TPSA)
26,3 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
2
Frei drehbare Bindungen
0
Schwere Atome
14

Experimentelle und physikochemische Eigenschaften

DrugsPharmaceuticals -> Listed in ZINC15
LogP3.22

Physikochemische Eigenschaften

Schmelzpunkt
209.5 ℃ · 209.5℃
Siedepunkt
381.73 °C · 381.73°C (rough estimate)
Dichte
1.767 · 1.767±0.06 g/cm3 (20 ºC 760 Torr)
Brechungsindex
1.5282 · 1.5282 (estimate)
storage temp.
0 · 0-6°C
Henry's Law Constant
1.8 · 1.8×101 mol/(m3Pa) at 25℃, Kawamoto and Urano (1989)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

Warning

H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]

P273, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 29 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Not Classified

Not Classified

Gefahrenhinweise

Hazard Classes and Categories · 2 Einträge

Aquatic Acute 1 (100%)

Hazardous to the aquatic environment (Acute) - Category 1

Sicherheitsdaten

Toxizität
LD50 oral in rat: 20gm/kg

Chemie und Industrie

Anwendungen

VerwendenPhthalide (Fthalide) is a fungicide used against the Penicillium and Aspergiillus species of fungus. Pesticide.

Vor- und nachgelagerte Produkte

Nachgelagerte Produkte

Anbieter39 Anbieter

阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
广州佳途科技股份有限公司81960175 18933936954 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
Ergänzende Hinweise · 1 Eintrag

DefinitionChEBI: A member of the class of 2-benzofurans that is 2-benzofuran-1(3H)-one in which all or the hydrogens attached to the benzene ring are replaced by chlorines. A fungicide used for the control of rice blast, it is not approved for use within the European Union.

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