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Benzamide,N-(diaminophosphinyl)-4-fluoro-

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Name

Benzamide,N-(diaminophosphinyl)-4-fluoro-

EINECS N/A
CAS No. 70788-28-2 Density 1.457 g/cm3
PSA 108.02000 LogP 2.37250
Solubility N/A Melting Point N/A
Formula C7H9FN3O2P Boiling Point N/A
Molecular Weight 217.14 Flash Point N/A
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 70788-28-2 (N-(DIAMINOPHOSPHINYL)-4-FLUOROBENZAMIDE) Hazard Symbols N/A
Synonyms

4-Fluoro-N-(diaminophosphinyl)benzamide;Flurfamide;Flurofamide;NSC 342995;N-(4-Fluorobenzoyl)phosphoric triamide;

 

Benzamide,N-(diaminophosphinyl)-4-fluoro- 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: 19.49×10-24 cm3; (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.

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