4-Nitrobenzamidine hydrochloride supplier

Name
4-NITROBENZAMIDINE, HYDROCHLORIDE
EINECS 239-817-4
CAS No. 15723-90-7
Article Data19
CAS DataBase
Density
Solubility
Melting Point 286-288°C
Formula C₇H₇N₃O₂ • HCl
Boiling Point 310.6 °C at 760 mmHg
Molecular Weight 201.612
Flash Point 141.6 °C
Transport Information
Appearance Pale yellow crystalline solid
Safety 24/25-36/37
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms Benzamidine,p-nitro-, hydrochloride (6CI);Benzamidine, p-nitro-, monohydrochloride (8CI);Benzenecarboximidamide, 4-nitro-, monohydrochloride (9CI);4-Nitrobenzamidinehydrochloride;4-Nitrophenylamidine hydrochloride;p-Nitrobenzamidinehydrochloride;p-Nitrobenzamidine monohydrochloride;
PSA 95.69000
LogP 3.00410

4-Nitrobenzamidine hydrochloride Specification

The 4-Nitrobenzamidine hydrochloride is an organic compound with the formula C₇H₇N₃O₂ • HCl. The systematic name of this chemical is 4-Nitrobenzenecarboximidamide hydrochloride. With the CAS registry number 15723-90-7, it is also named as 4-Nitrobenzenecarboximidamide hydrochloride, 4-nitrobenzimidamide hydrochloride. The product's categories are Blocks; Carboxes; NitroCompounds; Aromatics Compounds; Aromatics. Besides, it is pale yellow crystalline solid.

Physical properties about 4-Nitrobenzamidine hydrochloride are: (1)ACD/LogP: 0.61; (2)ACD/LogD (pH 5.5): -1.39; (3)ACD/LogD (pH 7.4): -1.27; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 5; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 61.42 Å²; (12)Flash Point: 141.6 °C; (13)Enthalpy of Vaporization: 55.14 kJ/mol; (14)Boiling Point: 310.6 °C at 760 mmHg; (15)Vapour Pressure: 0.000596 mmHg at 25 °C.

Preparation: this chemical can be prepared by C₁₃H₂₄LiN₃O₂Si₂. This reaction will need reagent 6 N ethanolic HCl. The reaction temperature is 0 °C. The yield is about 75%.

Uses of 4-Nitrobenzamidine hydrochloride: it can be used to produce 2-(4-Nitro-phenyl)-3,5,6,7,8,9-hexahydro-cycloheptapyrimidin-4-one. It will need reagent NaOEt and solvent ethanol with reaction time of 4 hours. And this reaction will need heating. The yield is about 31%.

You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C7H7N3O2.ClH/c8-7(9)5-1-3-6(4-2-5)10(11)12;/h1-4H,(H3,8,9);1H
(2)InChIKey: CJXJAUKCHHAJQN-UHFFFAOYAQ
(3)Std. InChI: InChI=1S/C7H7N3O2.ClH/c8-7(9)5-1-3-6(4-2-5)10(11)12;/h1-4H,(H3,8,9);1H
(4)Std. InChIKey: CJXJAUKCHHAJQN-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intravenous	128mg/kg (128mg/kg)		Journal of Pharmacology and Experimental Therapeutics. Vol. 84, Pg. 16, 1945.

Product Name

4-NITROBENZAMIDINE, HYDROCHLORIDE

4-Nitrobenzamidine hydrochloride Specification

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