CAS No.76280-91-6,Tecloftalam Suppliers

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Basic Information

Molecular Structure:
CAS No.:	76280-91-6
Name:	Tecloftalam

Formula:	C₁₄H₅Cl₆NO₃
Molecular Weight:	447.91
Synonyms:	ShirahagenS;Techlofthalam;Tecloftalam;6-(((2,3-Dichlorophenyl)amino)carbonyl)-2,3,4,5-tetrachlorobenzoic acid;N-(2,3-Dichlorophenyl)-3,4,5,6-tetrachlorophthalamic acid;
EINECS:	200-258-5
Density:	1.773 g/cm³
Melting Point:	198℃
Boiling Point:	525.7 °C at 760 mmHg
Flash Point:	271.7 °C
Appearance:	white crystalline powder
Risk Codes:	R36/37/38
PSA:	66.40000
LogP:	6.63050

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Specification

The CAS register number of Tecloftalam is 76280-91-6. It also can be called as N-(2,3-Dichlorophenyl)-3,4,5,6-tetrachlorophthalamic acid and the IUPAC name about this chemical is 2,3,4,5-tetrachloro-6-[(2,3-dichlorophenyl)carbamoyl]benzoic acid. The molecular formula about this chemical is C₁₄H₅Cl₆NO₃and the molecular weight is 447.91. It belongs to the Fungicide. This chemical is a systemic bacteriocide for control of leaf blight in rice and it can be used as bactericides chemical product.

Physical properties about Tecloftalam are: (1)ACD/LogP: 6.18; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 3.05; (4)ACD/LogD (pH 7.4): 3.03; (5)ACD/BCF (pH 5.5): 21.66; (6)ACD/BCF (pH 7.4): 20.73; (7)ACD/KOC (pH 5.5): 40.48; (8)ACD/KOC (pH 7.4): 38.74; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 46.61Å²; (13)Index of Refraction: 1.695; (14)Molar Refractivity: 97.12 cm³; (15)Molar Volume: 252.5 cm³; (16)Polarizability: 38.5x10^-24cm³; (17)Surface Tension: 67.6 dyne/cm; (18)Enthalpy of Vaporization: 84.2 kJ/mol; (19)Boiling Point: 525.7 °C at 760 mmHg; (20)Vapour Pressure: 7.05E-12 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1c(c(c(Cl)c(Cl)c1Cl)C(=O)O)C(=O)Nc2cccc(Cl)c2Cl
(2)InChI: InChI=1/C14H5Cl6NO3/c15-4-2-1-3-5(8(4)16)21-13(22)6-7(14(23)24)10(18)12(20)11(19)9(6)17/h1-3H,(H,21,22)(H,23,24)
(3)InChIKey: ROZUQUDEWZIBHV-UHFFFAOYAK
(4)Std. InChI: InChI=1S/C14H5Cl6NO3/c15-4-2-1-3-5(8(4)16)21-13(22)6-7(14(23)24)10(18)12(20)11(19)9(6)17/h1-3H,(H,21,22)(H,23,24)
(5)Std. InChIKey: ROZUQUDEWZIBHV-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Source
mouse	LD50	intraperitoneal	330mg/kg (330mg/kg)	Nippon Noyaku Gakkaishi. Journal of the Pesticide Science Society of Japan. Vol. 13, Pg. 629, 1988.
mouse	LD50	oral	2010mg/kg (2010mg/kg)	Japan Pesticide Information. Vol. (46), Pg. 25, 1985.
mouse	LD50	skin	> 1gm/kg (1000mg/kg)	Japan Pesticide Information. Vol. (40), Pg. 32, 1982.
mouse	LD50	subcutaneous	595mg/kg (595mg/kg)	Nippon Noyaku Gakkaishi. Journal of the Pesticide Science Society of Japan. Vol. 13, Pg. 629, 1988.
rat	LC50	inhalation	> 1530mg/m3 (1530mg/m³)	Nippon Noyaku Gakkaishi. Journal of the Pesticide Science Society of Japan. Vol. 13, Pg. 629, 1988.
rat	LD50	intraperitoneal	317mg/kg (317mg/kg)	Nippon Noyaku Gakkaishi. Journal of the Pesticide Science Society of Japan. Vol. 13, Pg. 629, 1988.
rat	LD50	oral	2340mg/kg (2340mg/kg)	Japan Pesticide Information. Vol. (46), Pg. 25, 1985.
rat	LD50	skin	> 5gm/kg (5000mg/kg)	Japan Pesticide Information. Vol. (40), Pg. 32, 1982.
rat	LD50	subcutaneous	1020mg/kg (1020mg/kg)	Nippon Noyaku Gakkaishi. Journal of the Pesticide Science Society of Japan. Vol. 13, Pg. 629, 1988.