CAS No.2277-92-1,Oxyclozanide Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	2277-92-1
Name:	Oxyclozanide

Formula:	C₁₃H₆Cl₅NO₃
Molecular Weight:	401.461
Synonyms:	Salicylanilide,3,3',5,5',6-pentachloro-2'-hydroxy- (7CI,8CI);3,3',5,5',6-Pentachloro-2,2'-dihydroxybenzanilide;3,3',5,5',6-Pentachloro-2'-hydroxysalicylanilide;3,5,6,3',5'-Pentachloro-2,2'-dihydroxybenzanilide;Diplin;ICI 46638;Oxyclozanid;Zanil;Zanilox;
EINECS:	218-904-0
Density:	1.784 g/cm³
Melting Point:	77-81 °C
Boiling Point:	446 °C at 760 mmHg
Flash Point:	223.5 °C
Solubility:	29mg/L(25 oC)
Appearance:	white to yellowish powder
Hazard Symbols:	Xn,N,Xi
Risk Codes:	22-50/53-36/37/38
Safety:	60-61-36-26
Transport Information:	UN 3077
PSA:	69.56000
LogP:	5.69010

Synthetic route

: 2277-92-1
oxyclozanide

: 71-43-2
benzene

: oxyclozanidebenzene hemisolvate

Conditions

Conditions	Yield
at 20℃; for 168h;

: 106-42-3
para-xylene

: 2277-92-1
oxyclozanide

: oxyclozanide xylene hemisolvate

Conditions

Conditions	Yield
at 20℃; for 168h;

: 2277-92-1
oxyclozanide

: 108-88-3
toluene

: oxyclozanide toluene hemisolvate

Conditions

Conditions	Yield
at 20℃; for 168h;

: 2277-92-1
oxyclozanide

: 108-90-7
chlorobenzene

: oxyclozanide chlorobenzene hemisolvate

Conditions

Conditions	Yield
at 20℃; for 168h;

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Specification

The Oxyclozanide is an organic compound with the formula C₁₃H₆Cl₅NO₃. The IUPAC name of this chemical is 2,3,5-trichloro-N-(3,5-dichloro-2-hydroxyphenyl)-6-hydroxybenzamide. With the CAS registry number 2277-92-1, it is also named as 2,2'-Dihydroxy-3,3',5,5',6-pentachlorobenzanilide. The product's classification codes are Anthelmintics; Anti-Infective Agents; Antiparasitic Agents; Antiplatyhelmintic agents; Drug / Therapeutic Agent. Besides, it should be stored at temperature of 0 - 6 °C. It is a salicylanilide anthelmintic. It is used in the treatment and control of Fascioliasis in ruminants mainly domestic animals like Cattle, Sheep and Goats.

Physical properties about Oxyclozanide are: (1)ACD/LogP: 8.67; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 8.16; (4)ACD/LogD (pH 7.4): 6.19; (5)ACD/BCF (pH 5.5): 706340; (6)ACD/BCF (pH 7.4): 7634.49; (7)ACD/KOC (pH 5.5): 382470.31; (8)ACD/KOC (pH 7.4): 4133.94; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 38.77 Å²; (13)Index of Refraction: 1.722; (14)Molar Refractivity: 89.06 cm³; (15)Molar Volume: 224.9 cm³; (16)Polarizability: 35.3×10^-24cm³; (17)Surface Tension: 72.4 dyne/cm; (18)Density: 1.784 g/cm³; (19)Flash Point: 223.5 °C; (20)Enthalpy of Vaporization: 73.12 kJ/mol; (21)Boiling Point: 446 °C at 760 mmHg; (22)Vapour Pressure: 1.43E-08 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
It is harmful if swallowed and very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Besides, this chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing. This material and its container must be disposed of as hazardous waste.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc2c(C(=O)Nc1cc(Cl)cc(Cl)c1O)c(O)c(Cl)cc2Cl
(2)InChI: InChI=1/C13H6Cl5NO3/c14-4-1-6(16)11(20)8(2-4)19-13(22)9-10(18)5(15)3-7(17)12(9)21/h1-3,20-21H,(H,19,22)
(3)InChIKey: JYWIYHUXVMAGLG-UHFFFAOYAW
(4)Std. InChI: InChI=1S/C13H6Cl5NO3/c14-4-1-6(16)11(20)8(2-4)19-13(22)9-10(18)5(15)3-7(17)12(9)21/h1-3,20-21H,(H,19,22)
(5)Std. InChIKey: JYWIYHUXVMAGLG-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
cattle	LDLo	oral	60mg/kg (60mg/kg)	BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: COMA LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION	Veterinary Record. Vol. 78, Pg. 267, 1966.
domestic animals - goat/sheep	LDLo	intravenous	10mg/kg (10mg/kg)		Veterinary Record. Vol. 78, Pg. 267, 1966.
domestic animals - goat/sheep	LDLo	oral	60mg/kg (60mg/kg)	BEHAVIORAL: MUSCLE WEAKNESS GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"	Veterinary Record. Vol. 78, Pg. 267, 1966.
rat	LD50	oral	1gm/kg (1000mg/kg)		Nature. Vol. 210, Pg. 744, 1966.