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Hydramethylnon

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Hydramethylnon

EINECS 405-090-9
CAS No. 67485-29-4 Density 1.23 g/cm3
PSA 48.78000 LogP 7.03940
Solubility 0.005-0.007 mg l-1(25 °C) Melting Point 185-190 °C
Formula C25H24F6N4 Boiling Point 510.5 °C at 760 mmHg
Molecular Weight 494.483 Flash Point 262.6 °C
Transport Information UN3077 9/PG 3 Appearance Odorless yellow crystals
Safety 1/2-22-26-36/37-45-60-61 Risk Codes 22-36-48/25-50/53
Molecular Structure Molecular Structure of 67485-29-4 (Hydramethylnon) Hazard Symbols ToxicT; DangerousN
Synonyms

Maxforce;N-[1,5-bis[4-(trifluoromethyl)phenyl]penta-1,4-dien-3-ylideneamino]-5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-amine;AC 217300;2(1H)-Pyrimidinone,tetrahydro-5,5-dimethyl-,[3-[4-(trifluoromethyl)phenyl]-1-[2-[4- (trifluoromethyl)phenyl]ethenyl]-2-propenylidene] hydrazone;Amdro;Combat;CL 217300;

Article Data 4

Hydramethylnon Specification

The Hydramethylnon, with the CAS registry number 67485-29-4 and EINECS registry number 405-090-9, has the systematic name of 2-(2-{1,5-bis[4-(trifluoromethyl)phenyl]penta-1,4-dien-3-ylidene}hydrazinyl)-5,5-dimethyl-1,4,5,6-tetrahydropyrimidine. It is a kind of metabolic inhibitor, and used primarily as an insecticide in the form of baits for cockroaches and ants. And the molecular formula of the chemical is C25H24F6N4.

The physical properties of Hydramethylnon are as followings: (1)ACD/LogP: 7.64; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.64; (4)ACD/LogD (pH 7.4): 5.92; (5)ACD/BCF (pH 5.5): 3796.76; (6)ACD/BCF (pH 7.4): 7269.42; (7)ACD/KOC (pH 5.5): 3441.74; (8)ACD/KOC (pH 7.4): 6589.69; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 31.2 Å2; (13)Index of Refraction: 1.526; (14)Molar Refractivity: 122.78 cm3; (15)Molar Volume: 399.6 cm3; (16)Polarizability: 48.67×10-24cm3; (17)Surface Tension: 33.9 dyne/cm; (18)Density: 1.23 g/cm3; (19)Flash Point: 262.6 °C; (20)Enthalpy of Vaporization: 78.13 kJ/mol; (21)Boiling Point: 510.5 °C at 760 mmHg; (22)Vapour Pressure: 1.54E-10 mmHg at 25°C.

You should be cautious while dealing with this chemical. It irritates to eyes, and harmful if swallowed. It has dangers of serious damage to health by prolonged exposure if swallowed. It is also very toxic to aquatic organisms, and may cause long-term adverse effects in the aquatic. Therefore, you had better take the following instructions: Keep locked up and out of the reach of children; Do not breathe dust; Wear suitable protective clothing and gloves, and in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice; In case of accident or if you feel unwell, seek medical advice immediately (show label where possible); This material and/or its container must be disposed of as hazardous waste; Avoid release to the environment. Refer to special instructions safety data sheet.

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)c1ccc(cc1)C=C/C(=N\N/C2=N/CC(C)(C)CN2)C=Cc3ccc(cc3)C(F)(F)F
(2)InChI: InChI=1/C25H24F6N4/c1-23(2)15-32-22(33-16-23)35-34-21(13-7-17-3-9-19(10-4-17)24(26,27)28)14-8-18-5-11-20(12-6-18)25(29,30)31/h3-14H,15-16H2,1-2H3,(H2,32,33,35)
(3)InChIKey: IQVNEKKDSLOHHK-UHFFFAOYAF

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
duck LD50 oral > 2510mg/kg (2510mg/kg)   Pesticide Manual. Vol. 9, Pg. 475, 1991.
quail LD50 oral 1828mg/kg (1828mg/kg)   Farm Chemicals Handbook. Vol. -, Pg. C167, 1991.
rabbit LD50 skin > 5gm/kg (5000mg/kg)   Pesticide Manual. Vol. 9, Pg. 475, 1991.
rat LC50 inhalation > 5gm/m3/4H (5000mg/m3)   Pesticide Manual. Vol. 9, Pg. 474, 1991.
rat LD50 oral 1131mg/kg (1131mg/kg)   Farm Chemicals Handbook. Vol. -, Pg. C167, 1991.

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