CAS No.51707-55-2,5-Phenylcarbamoylamino-1,2,3-thiadiazole Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	51707-55-2
Name:	5-Phenylcarbamoylamino-1,2,3-thiadiazole
Article Data:	7

Formula:	C₉H₈N₄OS
Molecular Weight:	220.255
Synonyms:	1,2,3-Thiadiazole,urea deriv.;1-Phenyl-3-(1,2,3-thiadiazol-5-yl)urea;Avguron;Dropp;Dropp SC;Lift;N-Phenyl-N'-1,2,3-thiadiazol-5-ylurea;SN 49537;TAG (plant growthregulator);TDZ;5-Phenylcarbamoylamino-1,2,3-thiadiazole;
EINECS:	257-356-7
Density:	1.511 g/cm³
Melting Point:	213 °C
Solubility:	slightly soluble in water
Appearance:	white odourless crystalline solid
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	22-26-36
PSA:	95.15000
LogP:	2.32810

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Specification

The Thidiazuron, with the CAS registry number 51707-55-2, is also known as 5-Phenylcarbamoylamino-1,2,3-thiadiazole. It belongs to the product categories of Cytokinins; Plant Growth Regulators; Plant Tissue Culture; Herbicides; Pesticides; Pesticides & Metabolites; Urea structure; Alpha sort; Aromatics; Heterocycles; Sulfur & Selenium Compounds. Its EINECS number is 257-356-7. This chemical's molecular formula is C₉H₈N₄OS and molecular weight is 220.25. What's more, its systematic name is 1-Phenyl-3-(1,2,3-thiadiazol-5-yl)urea. Its classification codes are: (1)Agricultural Chemical; (2)Growth regulator / Fertilizer; (3)Plant growth regulator; (4)Reproductive Effect. Its storage temperature is 0 - 6°C. This chemcial is urea plant growth regulator, which is mainly used as a cotton defoliant.

Physical properties of Thidiazuron are: (1)ACD/LogP: 1.798; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.80; (4)ACD/LogD (pH 7.4): 1.80; (5)ACD/BCF (pH 5.5): 13.69; (6)ACD/BCF (pH 7.4): 13.69; (7)ACD/KOC (pH 5.5): 226.52; (8)ACD/KOC (pH 7.4): 226.41; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 95.15 Å²; (13)Index of Refraction: 1.754; (14)Molar Refractivity: 59.639 cm³; (15)Molar Volume: 145.784 cm³; (16)Polarizability: 23.643×10^-24cm³; (17)Surface Tension: 80.7 dyne/cm; (18)Density: 1.511 g/cm³.

Uses of Thidiazuron: it can be used to produce 1-(4-bromo-phenyl)-3-(4-bromo-[1,2,3]thiadiazol-5-yl)-urea by heating. It will need reagent bromine and solvent ethanol with the reaction time of 10 min. The yield is about 46%.

Thidiazuron can be used to produce 1-(4-bromo-phenyl)-3-(4-bromo-[1,2,3]thiadiazol-5-yl)-urea by heating

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. You should not breathe dust. When using it, you need wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(Nc1ccccc1)Nc2snnc2
(2)Std. InChI: InChI=1S/C9H8N4OS/c14-9(12-8-6-10-13-15-8)11-7-4-2-1-3-5-7/h1-6H,(H2,11,12,14)
(3)Std. InChIKey: HFCYZXMHUIHAQI-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
guinea pig	LD50	oral	2813mg/kg (2813mg/kg)	BEHAVIORAL: EXCITEMENT	Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 49(1), Pg. 72, 1984.
mouse	LD50	oral	3740mg/kg (3740mg/kg)	BEHAVIORAL: EXCITEMENT	Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 49(1), Pg. 72, 1984.
quail	LD50	oral	> 16gm/kg (16000mg/kg)		Pesticide Manual. Vol. 9, Pg. 813, 1991.
rabbit	LD50	oral	7100mg/kg (7100mg/kg)	BEHAVIORAL: EXCITEMENT	Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 49(1), Pg. 72, 1984.
rabbit	LD50	skin	> 1gm/kg (1000mg/kg)		Pesticide Manual. Vol. 9, Pg. 813, 1991.
rat	LC50	inhalation	> 2300mg/m³/4H (2300mg/m³)		Pesticide Manual. Vol. 9, Pg. 813, 1991.
rat	LD50	intraperitoneal	4200mg/kg (4200mg/kg)		Farm Chemicals Handbook. Vol. -, Pg. C118, 1991.
rat	LD50	oral	5350mg/kg (5350mg/kg)	BEHAVIORAL: EXCITEMENT	Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 49(1), Pg. 72, 1984.