Nifuroxazide supplier | CasNO.965-52-6

Name
Nifuroxazide
EINECS 213-522-0
CAS No. 965-52-6
Article Data6
CAS DataBase
Density 1.49 g/cm³
Solubility
Melting Point 281-283°C
Formula C₁₂H₉N₃O₅
Boiling Point 418.17°C (rough estimate)
Molecular Weight 275.221
Flash Point
Transport Information
Appearance Yellow solid
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Benzoicacid, 4-hydroxy-, [(5-nitro-2-furanyl)methylene]hydrazide (9CI);Benzoic acid,p-hydroxy-, (5-nitrofurfurylidene)hydrazide (7CI,8CI);(5-Nitro-2-furfurylidene)(4-hydroxybenzoyl)hydrazine;1-(p-Hydroxybenzoyl)-2-(5-nitrofurfurylidene)hydrazine;27-109RC;5-Nitro-2-furaldehyde p-hydroxybenzoylhydrazone;5-Nitro-2-furfurylidene-4-hydroxybenzhydrazide;Adral;Antinal;Bacifurane;Diarlidan;Dicoferin;Enterofuril;Ercefurol;Ercefuryl;Nifuroxazid;Nifuroxazide;Pentofuryl;RC 27109;RC 30-109;p-Hydroxybenzoic acid(5-nitrofurfurylidene)hydrazide;
PSA 120.65000
LogP 2.57140

Synthetic route

: 698-63-5
5-nitrofurane-2-carboxaldehyde

: 5351-23-5
4-hydroxybenzoic acid hydrazide

: 965-52-6
nifuroxazide

Conditions

Conditions	Yield
In ethanol; water Heating;	80%
Stage #1: 4-hydroxybenzoic acid hydrazide With acetic acid In water for 0.0833333h; Sonication; Stage #2: 5-nitrofurane-2-carboxaldehyde In dimethyl sulfoxide at 20℃; for 0.5h; Sonication;	65%

: 965-52-6
nifuroxazide

A: 133368-17-9
4-Hydroxy-benzoic acid [4-cyano-2-oxo-but-(E)-ylidene]-hydrazide

B: 133368-14-6
4-Hydroxy-benzoic acid [1-(5-amino-furan-2-yl)-meth-(E)-ylidene]-hydrazide

Conditions

Conditions	Yield
In methanol; water at 30℃; electrolysis;	A 5% B 35%
In 2-methoxy-ethanol; water at 30℃; electrolysis;	A 25% B n/a

Nifuroxazide Specification

The Nifuroxazide, with the CAS registry number 965-52-6,is also known as p-Hydroxybenzoic acid (5-nitrofurfurylidene) hydrazide. It belongs to the product categories of Aromatics;Heterocycles;Intermediates & Fine Chemicals;Pharmaceuticals. This chemical's molecular formula is C₁₂H₉N₃O₅ and molecular weight is 275.22.Its EINECS number is 213-522-0.What's more,Its systematic name is Nifuroxazide.It is a yellow solid which is used as intestinal antiseptic.It is poison by intraperitoneal route.And mildly toxic by ingestion.When heated to decomposition it emits toxic fumes of NOx.

Physical properties about Nifuroxazide are:
(1)ACD/LogP: 1.824; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.82; (4)ACD/LogD (pH 7.4): 1.74; (5)ACD/BCF (pH 5.5): 14.28; (6)ACD/BCF (pH 7.4): 11.74; (7)ACD/KOC (pH 5.5): 233.27; (8)ACD/KOC (pH 7.4): 191.72; (9)#H bond acceptors: 8; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Index of Refraction: 1.653; (13)Molar Refractivity: 67.611 cm3; (14)Molar Volume: 184.659 cm³; (15)Surface Tension: 64.6230010986328 dyne/cm; (16)Density: 1.49 g/cm³.

You can still convert the following datas into molecular structure:
(1)SMILES:O=[N+]([O-])c2oc(C=NNC(=O)c1ccc(O)cc1)cc2;
(2)Std. InChI:InChI=1S/C12H9N3O5/c16-9-3-1-8(2-4-9)12(17)14-13-7-10-5-6-11(20-10)15(18)19/h1-7,16H,(H,14,17);
(3)Std. InChIKey:YCWSUKQGVSGXJO-UHFFFAOYSA-N.

The toxicity data of Nifuroxazide are as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intraperitoneal	1gm/kg (1000mg/kg)	BEHAVIORAL: ANTIPSYCHOTIC LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION KIDNEY, URETER, AND BLADDER: OTHER CHANGES IN URINE COMPOSITION	Journal of Pharmacy and Pharmacology. Vol. 16, Pg. 663, 1964.
mouse	LDLo	oral	6gm/kg (6000mg/kg)		Annales Pharmaceutiques Francaises. Vol. 21, Pg. 287, 1963.

Product Name

Nifuroxazide

Synthetic route

Nifuroxazide Specification

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