CAS 13593-03-8 Quinalphos (HCID 26124)

Überblick

Quinalphos is an organothiophosphate insecticide and an organic thiophosphate. It has a role as an acaricide, an agrochemical and an EC 3.1.1.7 (acetylcholinesterase) inhibitor. It is functionally related to a quinoxalin-2-ol.

Namen und Bezeichner

Bevorzugter Name: Quinalphos
IUPAC: diethoxy-quinoxalin-2-yloxy-sulfanylidene-λ5-phosphane
Lokaler Name: Chinalphos (ISO)
Englischer Name: Quinalphos
Summenformel: C12H15N2O3PS
Molmasse: 298.3

Namen und Synonyme

QUINALPHOS13593-03-8BayrusilEkaluxDiethquinalphionQuinaltafO,O-Diethyl O-quinoxalin-2-yl phosphorothioateDTXSID7024291Phosphorothioic acid, O,O-diethyl O-2-quinoxalinyl esterKINALUXOLEOEKALUXPhosphorothioic acid, O,O-diethyl O-(2-quinoxalinyl) ester

Weitere Namen anzeigen

65386538eKRUSHSMASHs-6538ECALUXSavallbay5821Elnalux

O,O-Diethyl O-2-quinoxalinyl phosphorothioic acid esterCHEBI:8712DTXCID90429126S837727YO,O-Diethyl O-(2-quinoxalyl) phosphorothionateSAN-6538BAY-77049NSC-190986

Datenbank-Bezeichner

CAS: 13593-03-8
PubChem CID: 26124
DTXSID: DTXSID7024291
ChEMBL: CHEMBL1893890
ChEBI: CHEBI:8712
UNII: 26S837727Y
EC Number: 237-031-6
Nikkaji: J8.128K

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 4,4
Polarare Oberfläche (TPSA): 85,6 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 6
Frei drehbare Bindungen: 6
Schwere Atome: 19
Formalladung: 0
Komplexität: 322

Experimentelle und physikochemische Eigenschaften

SpringerMaterials PropertiesFusion temperature

Pesticides · 6 Einträge

Pesticides

Pesticide -> EPA IRIS

Insecticides

Active substance -> EU Pesticides database: Not approved

Pesticide

Pesticide (Quinalphos) -> USDA PDB

LogP4.44

Endocrine DisruptorsPotential endocrine disrupting compound

Collision Cross Section · 4 Einträge

162.8 Å² [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: Pesticides]

165.1 Å² [M+H]+ [CCS Type: TW]

169.92 Å² [M+Na]+

162.45 Å² [M+H]+ [CCS Type: TW; Buffer gas: N2; Ionization: GC-APCI+]

Physikochemische Eigenschaften

Schmelzpunkt: 31.5 °C · 31.5°C
Siedepunkt: 142 °C · 142 °C
Dichte: 1.306 · 1.306±0.06 g/cm3(Predicted)
Dampfdruck: 3.46 · 3.46×10-4 Pa (20 °C)
Flammpunkt: 2 °C · 2 °C
storage temp.: 4 °C · APPROX 4°C
Löslichkeit: Chloroform (Slightly), Methanol (Slightly)
pka: -1.05 · -1.05±0.30(Predicted)
Aggregatzustand: Crystalline
Wasserlöslichkeit: 17.8 mg · 17.8 mg l-1 (22-23 °C)
BRN: 754823 · 754823
Henry's Law Constant: 1.1 · 1.1×102 mol/(m3Pa) at 25℃, Ebert et al. (2023)
Stabilität: Hygroscopic, Moisture sensitive
Major Application: agricultureenvironmental
InChI: 1S/C12H15N2O3PS/c1-3-15-18(19,16-4-2)17-12-9-13-10-7-5-6-8-11(10)14-12/h5-9H,3-4H2,1-2H3
InChIKey: JYQUHIFYBATCCY-UHFFFAOYSA-N
SMILES: CCOP(=S)(OCC)Oc1cnc2ccccc2n1
CAS Datenbank: 13593 · 13593-03-8(CAS DataBase Reference)
NIST chemische Informationen: Quinalphos(13593-03-8)
EPA chemische Informationen: Quinalphos (13593-03-8)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

Danger

H301: Toxic if swallowed [Danger Acute toxicity, oral]

P264, P270, P273, P280, P301+P316, P302+P352, P317, P321, P330, P362+P364, P391, P405, and P501 (click each P-code to see the statement)

Danger

H300 (14.6%): Fatal if swallowed [Danger Acute toxicity, oral]

P203, P260, P262, P264, P264+P265, P270, P271, P273, P280, P284, P301+P316, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P318, P320, P321, P330, P337+P317, P361+P364, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Gefahrenhinweise

Regulatory Information2002/2076

DOT Hazard Classification · 2 Einträge

Quinalphos

Marine pollutant

Hazard Classes and Categories · 5 Einträge

Acute Tox. 2 (14.6%)

Acute toxicity - category 3

Acute toxicity (Oral) - Category 3

Self-reactive substances and mixtures - Type G

Acute Tox. 3 *

Toxikologische Informationen

EPA IRIS Information · 2 Einträge

Quinalphos

5 x 10 ^-4 mg/kg-day

RAIS Toxicity Values · 2 Einträge

0.0005

IRIS Current

Hazard Quotient Level 0.1 or Cancer Risk Level 1E-06 · 6 Einträge

3.20e+01

4.10e+02

5.10e+00

2.00e-01

4.30e-02

5.00e-04

Hazard Quotient Level 3 or Cancer Risk Level 1E-04 · 6 Einträge

9.50e+01

1.20e+03

1.50e+01

2.00e-01

5.00e-04

Volatile

Sicherheitsdaten

wgk: 3
ridadr: 2783
hs_code: 29339900
RTECS-Nr.: TF6125000
risk_code: 21-25-50/53-51/53-36-20/21/22-11
Toxizität: cat,LD50,oral,75mg/kg (75mg/kg),National Technical Information Service. Vol. OTS0555485,
hazard_code: T,N,Xn,F
safety_code: 22-36/37-45-60-61-26
hazard_class: 6.1(a)
packing_group: II
Speicherklasse: 6.1A - Combustible, acute toxic Cat. 1 and 2very toxic hazardous materials
Hazard Classifications: Acute Tox. 1 InhalationAcute Tox. 2 OralAcute Tox. 3 DermalAquatic Acute 1Aquatic Chronic 1Eye Dam. 1

Chemie und Industrie

Pharmakologische Informationen

MeSH Pharmacological ClassificationPesticides designed to control insects that are harmful to man. The insects may be directly harmful, as those acting as disease vectors, or indirectly harmful, as destroyers of crops, food products, or textile fabrics.

Anwendungen

VerwendenQuinalphos is used to control both chewing and sucking insects and mites in a large number of different crops.

Anbieter42 Anbieter

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

江苏智芯廷科技有限公司18221391031 · [email protected]

上海艾梯西生物科技有限公司18721763493

上海毕楷科技有限公司18516304666

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Chinalphos (ISO)

Grundinformationen