3D Mol Similar

DICHLOFENTHION

: IUPACName：(2,4-dichlorophenoxy)-diethoxy-sulfanylidene-λ5-phosphane; CAS Registry Number: 97-17-6; Molekulargewicht：315.15

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1. Namen und Bezeichner

: 1.1 Produktname; DICHLOFENTHION; 1.2 Synonyme; Nemacidevc-13 o, o-Diaethyl-o-2,4-dichlorphenylmonothiophosphat O, O-Diaethyl-O-2,4-dichlorphenylthionophosphat O, O-Diethyl-O- (2,4- Dichlorphenyl) thiophosphat O, O-Diethyl-O- (2,4-dichlor-fenyl) monothiofosfaat o, o-Diethylo-2,4-dichlorphenylthiophosphat O, O-Dietil-O- (2,4-dicloro -fenil) -monotiofosfato Phenol, 2,4-Dichloro, O-ester mit O, O-Diethylphosphorthioat; Alle anzeigen

1.3 CAS Registry Number: 97-17-6

1.4 CID: 7328

1.5 EINECS-Nummer: 202-564-5

1.6 Summenformel: C10H13Cl2O3PS (isomer)

1.7 Inchi: InChI=1S/C10H13Cl2O3PS/c1-3-13-16(17,14-4-2)15-10-6-5-8(11)7-9(10)12/h5-7H,3-4H2,1-2H3

1.8 InchiKey: WGOWCPGHOCIHBW-UHFFFAOYSA-N

1.9 Kanonisch SMILES: CCOP(=S)(OCC)OC1=C(C=C(C=C1)Cl)Cl

1.10 Isomere SMILES: CCOP(=S)(OCC)OC1=C(C=C(C=C1)Cl)Cl

2. Eigenschaften

2.1 Dichte: 1.313

2.2 Schmelzpunkt: 100 °C

2.3 Siedepunkt: bp0.1 164-169 °

2.4 Brechungsindex: 1.545

2.5 Blitzpunkt: 100 °C

2.6 PSA: 69.59000

2.7 logP: 5.32030

2.8 Löslich: 245ug/L(25 ºC)

2.9 Lagerung: 0-6 ° C

3. Sicherheit und Handhabung

3.1 Gefahrencodes: Xn, N.

3.2 R-Satz: 22-50 / 53

3.3 S-Satz: 60-61

3.4 Gefahrenkategorie: 6.1(b)

3.5 Gefahrenbeschreibung: H302-H410

3.6 RIDADR: 2783

3.7 WGK Deutschland: 3

3.8 RTECS: TF0350000

3.9 Sicherheit und Gefahren

Gefahrencodes	Xn, N.
R-Satz	22-50 / 53
S-Satz	60-61
RIDADR	2783
RTECS	TF0350000
Speicherklasse	6.1 (b)
Verpackungsgruppe	III
Toxizität	LD50 bei männlichen, weiblichen Ratten (mg/kg): 185, 172 oral; 576, 355 dermal (Gaines, Linder)

4. SDB-Informationen

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

Hazardous to the aquatic environment, short-term (Acute) - Category Acute 1

Hazardous to the aquatic environment, long-term (Chronic) - Category Chronic 1

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word	Warning
Hazard statement(s)	H302 Harmful if swallowed H400 Very toxic to aquatic life H410 Very toxic to aquatic life with long lasting effects
Precautionary statement(s)
Prevention	P264 Wash ... thoroughly after handling. P270 Do not eat, drink or smoke when using this product. P273 Avoid release to the environment.
Response	P301+P312 IF SWALLOWED: Call a POISON CENTER/doctor/\u2026if you feel unwell. P330 Rinse mouth. P391 Collect spillage.
Storage	none
Disposal	P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

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5. Synthetischer Weg.

97-17-6Total: 3 Synthetischer Weg.

38176-72-6

97-17-6 27 Lieferanten

Literatur:
US2887505 , ;
Verlassen Sie die Fabrik: null

2524-04-1

120-83-2 160 Lieferanten

97-17-6 27 Lieferanten

Literatur:
Fudala, Louise; Lewin, Anita H. Journal of Labelled Compounds and Radiopharmaceuticals, 1998 , vol. 41, # 1 p. 81 - 84
Verlassen Sie die Fabrik: ~59%

3757-76-4

2524-04-1

97-17-6 27 Lieferanten

Literatur:
Zhurnal Obshchei Khimii, , vol. 23, p. 1357,1358; engl. Ausg. S. 1419, 1420
Verlassen Sie die Fabrik: null

6. Vorläufer und Produkt

Vorläufer:

120-83-2

38176-72-6

3757-76-4

Produkt :

3279-62-7

7. Weitere Informationen

7.1 Merck: 13,3069

8. Computerchemische Daten

Masse moléculaire: 315.153181g/mol
Summenformel: C₁₀H₁₃Cl₂O₃PS
Compound Is Canonicalized: True
XLogP3-AA: null
Exact Mass: 313.9700078
Monoisotopic Mass: 313.9700078
Complexity: 270
Rotatable Bond Count: 6
Hydrogen Bond Donor Count: 0
Hydrogen Bond Acceptor Count: 4
Topological Polar Surface Area: 59.8
Heavy Atom Count: 17
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count: 0
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
Isotope Atom Count: 0
Covalently-Bonded Unit Count: 1
CACTVS Substructure Key Fingerprint: AAADccBwMAJGAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAGgIAACAACAagkCIyBoAAARCAACBCAAACAAAgJUAIiAAGC4gIJiKBExKAMAAkwBEIiAeAQAAAACAAAACACAAAQAAAAQAQAAAAAAAAAA==