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| CAS No.: | 14816-18-3 |
|---|---|
| Name: | Phoxim |
| Molecular Structure: | |
|
|
|
| Formula: | C12H15N2O3PS |
| Molecular Weight: | 298.302 |
| Synonyms: | 3,5-Dioxa-6-aza-4-phosphaoct-6-ene-8-nitrile,4-ethoxy-7-phenyl-, 4-sulfide (9CI);Phosphorothioic acid, O,O-diethyl ester,O-[(a-cyanobenzylidene)amino] deriv. (8CI);B 77488;Basileum SI;Basileum SI 84;Bayer 5621; |
| EINECS: | 238-887-3 |
| Density: | 1.21 g/cm3 |
| Melting Point: | 6.1 °C |
| Boiling Point: | 362.455 °C at 760 mmHg |
| Flash Point: | 173.007 °C |
| Solubility: | 1.5 mg l-1 (20 °C) |
| Appearance: | COA |
| Hazard Symbols: |
 Xn, N
|
| Risk Codes: | 22-50/53 |
| Safety: | 36-60-61 |
| Transport Information: | UN 2810 |
| PSA: | 105.74000 |
| LogP: | 3.87898 |
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| Conditions | Yield |
|---|---|
| With perchloric acid; (S)-{2-[2-(4-tert-butyl)oxazolinyl]phenyl-C1,N}(trifluoromethylpyridine)(aqua)-palladium(II) triflate at 25℃; pH=10.8; Kinetics; aq. buffer; |
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Chemistry
Molecule structure of Baythion (CAS NO.14816-18-3):
IUPAC Name: (Z)-N-Diethoxyphosphinothioyloxybenzenecarboximidoyl cyanide
Molecular Weight: 298.297861 g/mol
Molecular Formula: C12H15N2O3PS
Density: 1.214 g/cm3
Melting Point: 6.1 deg C
Boiling Point: 362.455 °C at 760 mmHg
Flash Point: 173.007 °C
Index of Refraction: 1.55
Molar Refractivity: 78.248 cm3
Molar Volume: 245.696 cm3
Polarizability: 31.02×10-24 cm3
Surface Tension: 44.15 dyne/cm
Enthalpy of Vaporization: 60.84 kJ/mol
Water Solubility: 4.1 mg/L
Storage Temp.: 0-6 °C
XLogP3: 4.4
H-Bond Acceptor: 5
Rotatable Bond Count: 7
Exact Mass: 298.0541
MonoIsotopic Mass: 298.0541
Topological Polar Surface Area: 63.8
Heavy Atom Count: 19
Complexity: 389
Canonical SMILES: CCOP(=S)(OCC)ON=C(C#N)C1=CC=CC=C1
Isomeric SMILES: CCOP(=S)(OCC)O/N=C(\C#N)/C1=CC=CC=C1
InChI: InChI=1S/C12H15N2O3PS/c1-3-15-18(19,16-4-2)17-14-12(10-13)11-8-6-5-7-9-11/h5-9H,3-4H2,1-2H3/b14-12+
InChIKey: ATROHALUCMTWTB-WYMLVPIESA-N
EINECS: 238-887-3
Product Categories: Agro-Chemicals; Organics; INSECTICIDE; AcaricidesPesticides&Metabolites; Alpha sort; Insecticides; N-PPesticides; OrganophorousAlphabetic; P; PER - POLA; Pesticides; Pesticides&Metabolites
Uses
Baythion (CAS NO.14816-18-3) is an efficient, low toxic, organic phosphorus insecticide which is used to kill pests, mainly used for the prevention and control of underground pests. It is allowed for use in limited applications in the European Union. It is banned for use on crops in the European Union since 22 December 2007.
Toxicity Data With Reference
| 1. | orl-rat LD50:300 mg/kg | FAATDF Fundamental and Applied Toxicology, 7 (1986),299. | ||
| 2. | skn-rat LD50:1000 mg/kg | 28ZEAL Pesticide Index, 5 (1976),181. | ||
| 3. | orl-mus LD50:1050 mg/kg | 52OLAC Veterinarnaya Entomologiya i Akarologiya Veterinary Entomology and Acarology ,Nepoklonov, A.A., ed.,Moscow.: USSR, Izdatelstovo Kolos,1983,230. | ||
| 4. | orl-dog LD50:250 mg/kg | 28ZEAL Pesticide Index, 5 (1976),181. | ||
| 5. | orl-cat LD50:250 mg/kg | 28ZEAL Pesticide Index, 5 (1976),181. | ||
| 6. | orl-rbt LD50:250 mg/kg | 85DPAN Wirksubstanzen der Pflanzenschutz und Schadlingsbekampfungsmittel Werner Perkow, Berlin, Germany, Verlag Paul Parey, 1971-1976 71/76 |
Consensus Reports
Cyanide and its compounds are on the Community Right-To-Know List.
Safety Profile
Hazard Codes: 
Xn, 
N
Risk Statements: 22-50/53
R22:Harmful if swallowed.
R50/53:Very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment.
Safety Statements: 36-60-61
S36:Wear suitable protective clothing.
S60:This material and its container must be disposed of as hazardous waste.
S61:Avoid release to the environment. Refer to special instructions / safety data sheets.
RIDADR: UN 2810
RTECS: MD4740000
HazardClass: 6.1(b)
PackingGroup: III
Poison by ingestion. An experimental teratogen. When heated to decomposition it emits very toxic fumes of CN−, NOx, POx, and SOx.
Specification
Baythion (CAS NO.14816-18-3) is also named as (Diethoxy-thiophosphoryloxyimino)-phenyl acetonitrile ; 2-(Diethoxyphosphinothioyloxyimino)-2-phenylacetonitrile ; 3,5-Dioxa-6-aza-4-phosphaoct-6-ene-8-nitrile, 4-ethoxy-7-
phenyl-, 4-sulfide ; 4-Ethoxy-7-phenyl-3,5-dioxa-6-aza-4-phosphaoct-6-ene-8-nitrile 4-sulfide ; AI3-27448 ; BAY 5621 ; BAY 77488 ; BAY sra 7502 ; Bayer 77488 ; Benzeneacetonitrile, alpha-(((diethoxyphosphinothioyl)oxy)imino)- ; Benzoyl cyanide O-(diethoxyphosphinothioyl)oxime ; Caswell No. 902L ; Diethoxyphosphinothioyloxyimino(phenyl)acetonitrile ; EPA Pesticide Chemical Code 598800 ; O,O-Diaethyl-O-(alpha-cyanbenzyliden-amino)-thionphosphat ; O,O-Diaethyl-O-(alpha-cyano-benzylidenamino)-monothiophosphat ; O,O-Diethyl alpha-cyanobenzylideneamino-oxyphosphonothioate ; Phenylglyoxylonitrile oxime O,O-diethyl phosphorothioate ; Phoxim ; Phoxime ; Phoxime [INN-French] ; Phoxime [ISO-French] ; Phoximum ; Phoximum [INN-Latin] ; SRA 7502 ; Sebacil ; UNII-6F5V775VPO ; Valexon ; Valexone ; Volaton
alpha-(((Diethoxyphosphinothioyl)oxy)imino)benzeneacetonitrile . Pure product of Baythion (CAS NO.14816-18-3) is light yellow oily liquid. It is soluble in benzene, toluene, xylene, alcohols, ketones and other organic solvents.