Fenclorim

HCID 77338CAS 3740-92-9

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Grundinformationen

Standard-SMILES: Clc1cc(Cl)nc(-c2ccccc2)n1
InChIKey: NRFQZTCQAYEXEE-UHFFFAOYSA-N
Summenformel: C10H6Cl2N2
Durchschnittliche Molmasse: 225,07 g/mol
Monoisotopische Masse: 223,99080355

Überblick

Fenclorim is an organohalogen compound and a member of pyrimidines.

Namen und Bezeichner

Bevorzugter Name: Fenclorim
IUPAC: 4,6-dichloro-2-phenylpyrimidine
Englischer Name: Fenclorim
Summenformel: C10H6Cl2N2
Molmasse: 225.07

Namen und Synonyme

4,6-Dichloro-2-phenylpyrimidineFenclorim3740-92-953665T9BHJNSC-27713DTXSID90190843RefChem:140119DTXCID30113334609-426-7Fenclorim [ISO]FenclorimePyrimidine, 4,6-dichloro-2-phenyl-

Weitere Namen anzeigen

SoftSOFITenclorimfemclorimfenchlorim

MFCD00754193CGA-123407NSC 27713UNII-53665T9BHJBRN 01422934,6-Dichloro-2-phenyl-pyrimidineCHEBI:819932-Phenyl-4,6-dichloropyrimidine

Datenbank-Bezeichner

CAS: 3740-92-9
PubChem CID: 77338
DTXSID: DTXSID90190843
ChEMBL: CHEMBL2447919
ChEBI: CHEBI:81993
UNII: 53665T9BHJ
EC Number: 609-426-7
Nikkaji: J42.294K

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 4,2
Polarare Oberfläche (TPSA): 25,8 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 14
Formalladung: 0
Komplexität: 173

Experimentelle und physikochemische Eigenschaften

LogP4.17

Physikochemische Eigenschaften

Schmelzpunkt: 92 · 92-93°C
Siedepunkt: 235.5 · 235.5±33.0 °C(Predicted)
Dichte: 1.363 · 1.363±0.06 g/cm3(Predicted)
storage temp.: 2 · Inert atmosphere,2-8°C
Löslichkeit: Chloroform (Slightly), DMSO (Slightly), Methanol (Sparingly)
pka: -4.69 · -4.69±0.30(Predicted)
Farbe: Off-White to Pale Yellow
Wasserlöslichkeit: Insoluble in water
BRN: 142293 · 142293
Henry's Law Constant: 5.6 · 5.6×10-1 mol/(m3Pa) at 25℃, Ebert et al. (2023)
InChI: InChI=1S/C10H6Cl2N2/c11-8-6-9(12)14-10(13-8)7-4-2-1-3-5-7/h1-6H
InChIKey: NRFQZTCQAYEXEE-UHFFFAOYSA-N
SMILES: C1(C2=CC=CC=C2)=NC(Cl)=CC(Cl)=N1
CAS Datenbank: 3740 · 3740-92-9(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H317 (98.6%): May cause an allergic skin reaction [Warning Sensitization, Skin]

P261, P264+P265, P271, P272, P273, P280, P302+P352, P304+P340, P305+P354+P338, P317, P321, P333+P317, P362+P364, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 71 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Sens. 1 (98.6%)

Sicherheitsdaten

wgk: 2
ridadr: 3077
hs_code: 2933.59.1000
RTECS-Nr.: UV8258400
risk_code: 20-43
hazard_code: Xn
safety_code: 36/37
hazard_class: 9
packing_group: III

Chemie und Industrie

Anwendungen · 2 Einträge

BeschreibungFenclorim (4,6-dichloro-2-phenylpyrimidine) is a pyrimidine herbicide safener that effectively protects rice (Oryza sativa L.) from the phytotoxicity of certain herbicides. It improves rice tolerance to chloroacetanilide herbicides by enhancing the expression of detoxifying glutathione S-transferase (GST). Compared with seed treatment with safener alone, sequential seed treatment with safener and insecticide minimizes the release of fenclorim without causing residue problems in the ecosystem and harvested rice.

VerwendenHerbicide safener.