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961-11-5

Basic Information
CAS No.: 961-11-5
Name: Tetrachlorvinphos
Molecular Structure:
Molecular Structure of 961-11-5 (Tetrachlorvinphos)
Formula: C10H9Cl4O4P
Molecular Weight: 365.965
Synonyms: Phosphoricacid, 2-chloro-1-(2,4,5-trichlorophenyl)vinyl dimethyl ester (7CI,8CI);Benzylalcohol, 2,4,5-trichloro-a-(chloromethylene)-, dimethyl phosphate (8CI);2-Chloro-1-(2,4,5-trichlorophenyl)vinyl dimethyl phosphate;Dimethyl2,4,5-trichloro-a-(chloromethylene)benzylphosphate;Dimethyl-1-(2,4,5-trichlorophenyl)-2-chlorovinyl phosphate;IPO 8;
EINECS: 213-506-3
Density: 1.52 g/cm3
Melting Point: 94-97oC
Boiling Point: 399.5 °C at 760 mmHg
Flash Point: 302.8 °C
Solubility: Insoluble in water
Appearance: Colorless crystals or white powder
PSA: 54.57000
LogP: 5.60150
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Specification

The Tetrachlorvinphos, with the CAS registry number 961-11-5 and EINECS registry number 213-506-3, has the systematic name of Phosphoric acid, 2-chloro-1-(2,4,5-trichlorophenyl)ethenyl dimethyl ester. And the molecular formula of this chemical is C10H9Cl4O4P. It is a kind of colorless crystals or white powder, and it is slowly hydrolyzed in neutral and aqueous acidic media while rapidly hydrolyzed in alkaline media.

The physical properties of Tetrachlorvinphos are as following: (1)ACD/LogP: 3.86; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.86; (4)ACD/LogD (pH 7.4): 3.86; (5)ACD/BCF (pH 5.5): 503.66; (6)ACD/BCF (pH 7.4): 503.66; (7)ACD/KOC (pH 5.5): 2990.84; (8)ACD/KOC (pH 7.4): 2990.84; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 54.57 Å2; (13)Index of Refraction: 1.553; (14)Molar Refractivity: 77.06 cm3; (15)Molar Volume: 240.7 cm3; (16)Polarizability: 30.54×10-24cm3; (17)Surface Tension: 46.1 dyne/cm; (18)Density: 1.52 g/cm3; (19)Flash Point: 302.8 °C; (20)Enthalpy of Vaporization: 62.49 kJ/mol; (21)Boiling Point: 399.5 °C at 760 mmHg; (22)Vapour Pressure: 3.14E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c1(\C(OP(OC)(OC)=O)=C/Cl)c(cc(Cl)c(c1)Cl)Cl
(2)InChI: InChI=1/C10H9Cl4O4P/c1-16-19(15,17-2)18-10(5-11)6-3-8(13)9(14)4-7(6)12/h3-5H,1-2H3/b10-5+ 

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
bird - wild LD50 oral 100mg/kg (100mg/kg)   Archives of Environmental Contamination and Toxicology. Vol. 12, Pg. 355, 1983.
mouse LC50 inhalation > 1500mg/m3/4H (1500mg/m3) SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE

KIDNEY, URETER, AND BLADDER: OTHER CHANGES

SKIN AND APPENDAGES (SKIN): HAIR: OTHER
Sangyo Igaku. Japanese Journal of Industrial Health. Vol. 16, Pg. 523, 1974.
mouse LD50 intraperitoneal 1170mg/kg (1170mg/kg) BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)

GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Sangyo Igaku. Japanese Journal of Industrial Health. Vol. 16, Pg. 523, 1974.
mouse LD50 oral 4200mg/kg (4200mg/kg) BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS
Sangyo Igaku. Japanese Journal of Industrial Health. Vol. 16, Pg. 523, 1974.
mouse LD50 skin > 7500mg/kg (7500mg/kg) SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE

KIDNEY, URETER, AND BLADDER: OTHER CHANGES

SKIN AND APPENDAGES (SKIN): HAIR: OTHER
Sangyo Igaku. Japanese Journal of Industrial Health. Vol. 16, Pg. 523, 1974.
mouse LD50 subcutaneous 15gm/kg (15000mg/kg) BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)

GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Sangyo Igaku. Japanese Journal of Industrial Health. Vol. 16, Pg. 523, 1974.
rat LD50 intraperitoneal 1160mg/kg (1160mg/kg) BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS
Sangyo Igaku. Japanese Journal of Industrial Health. Vol. 16, Pg. 523, 1974.
rat LD50 oral 4gm/kg (4000mg/kg)   "Pflanzenschutz-und Schaedlingsbekaempfungsmittel: Abriss einer Toxikologie und Therapie von Vergiftungen," 2nd ed., Klimmer, O.R., Hattingen, Fed. Rep. Ger., Hundt-Verlag, 1971Vol. -, Pg. 34, 1971.
rat LD50 skin > 10gm/kg (10000mg/kg) SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE

KIDNEY, URETER, AND BLADDER: OTHER CHANGES

SKIN AND APPENDAGES (SKIN): HAIR: OTHER
Sangyo Igaku. Japanese Journal of Industrial Health. Vol. 16, Pg. 523, 1974.
rat LD50 subcutaneous > 15gm/kg (15000mg/kg) SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE

KIDNEY, URETER, AND BLADDER: OTHER CHANGES

SKIN AND APPENDAGES (SKIN): HAIR: OTHER
Sangyo Igaku. Japanese Journal of Industrial Health. Vol. 16, Pg. 523, 1974.