CAS No.70788-28-2,N-(DIAMINOPHOSPHINYL)-4-FLUOROBENZAMIDE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	70788-28-2
Name:	N-(DIAMINOPHOSPHINYL)-4-FLUOROBENZAMIDE

Formula:	C₇H₉FN₃O₂P
Molecular Weight:	217.14
Synonyms:	4-Fluoro-N-(diaminophosphinyl)benzamide;Flurfamide;Flurofamide;NSC 342995;N-(4-Fluorobenzoyl)phosphoric triamide;
Density:	1.457 g/cm³
PSA:	108.02000
LogP:	2.37250

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Specification

The Benzamide,N-(diaminophosphinyl)-4-fluoro-, with the CAS registry number 70788-28-2, is also known as N-(4-Fluorobenzoyl)phosphoric triamide. It belongs to the product category of Miscellaneous Enzyme. This chemical's molecular formula is C₇H₉FN₃O₂P and molecular weight is 217.14. What's more, both its IUPAC name and systematic name are the same which is called N-(Diaminophosphoryl)-4-fluorobenzamide. It can be stored at RT.

Physical properties about Benzamide,N-(diaminophosphinyl)-4-fluoro- are: (1)ACD/LogP: -1.38; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -1.38; (4)ACD/LogD (pH 7.4): -1.38; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 4.23; (8)ACD/KOC (pH 7.4): 4.23; (9)#H bond acceptors: 5; (10)#H bond donors: 5; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 53.67 Å²; (13)Index of Refraction: 1.574; (14)Molar Refractivity: 49.18 cm³; (15)Molar Volume: 148.9 cm³; (16)Polarizability: 19.49×10^-24cm³; (17)Surface Tension: 61.9 dyne/cm; (18)Density: 1.457 g/cm³.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1ccc(F)cc1)NP(=O)(N)N
(2)InChI: InChI=1/C7H9FN3O2P/c8-6-3-1-5(2-4-6)7(12)11-14(9,10)13/h1-4H,(H5,9,10,11,12,13)
(3)InChIKey: QWZFVMCWPLMLTL-UHFFFAOYAV

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	unreported	2125mg/kg (2125mg/kg)		Drugs of the Future. Vol. 7, Pg. 734, 1982.