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| | 4-Chlorobenzene-1-carboximidamide hydrochloride Basic information |
| Product Name: | 4-Chlorobenzene-1-carboximidamide hydrochloride | | Synonyms: | 4-Chlorobenzamidine hydrochloride ,95%;4-Chlorobenzenecarboximidamide hydrochloride, 4-Chlorobenzimidamide hydrochloride;Benzenecarboximidamide,4-chloro-, hydrochloride (1:1);4-chlorobenzenecarboximidamidemonohydrochloride;4-chloro-benzenecarboximidamidmonohydrochloride;p-chloro-benzamidhydrochloride;p-chloro-benzamidinmonohydrochloride;4-CHLORO-BENZAMIDINE HYDROCHLORIDE | | CAS: | 14401-51-5 | | MF: | C7H8Cl2N2 | | MW: | 191.06 | | EINECS: | 604-389-3 | | Product Categories: | pharmacetical | | Mol File: | 14401-51-5.mol |  |
| | 4-Chlorobenzene-1-carboximidamide hydrochloride Chemical Properties |
| Melting point | 244 °C | | storage temp. | Inert atmosphere,Room Temperature | | form | powder to crystal | | color | White to Almost white | | InChI | 1S/C7H7ClN2.ClH/c8-6-3-1-5(2-4-6)7(9)10;/h1-4H,(H3,9,10);1H | | InChIKey | RXAOGVQDNBYURA-UHFFFAOYSA-N | | SMILES | Cl.NC(=N)c1ccc(Cl)cc1 | | CAS DataBase Reference | 14401-51-5(CAS DataBase Reference) |
| Hazard Codes | Xi,T | | Risk Statements | 36/37/38-43-36-25 | | Safety Statements | 26-36-37/39-45-36/37 | | WGK Germany | WGK 3 | | RTECS | CV6136200 | | Hazard Note | Irritant | | HS Code | 29252900 | | Storage Class | 6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects | | Hazard Classifications | Acute Tox. 3 Oral
Eye Irrit. 2
Skin Sens. 1 | | Toxicity | mouse,LD50,intravenous,90mg/kg (90mg/kg),Journal of Pharmacology and Experimental Therapeutics. Vol. 84, Pg. 16, 1945. |
| | 4-Chlorobenzene-1-carboximidamide hydrochloride Usage And Synthesis |
| Chemical Properties | White solid | | Uses | 4-Chlorobenzene-1-carboximidamide, HCl | | Synthesis | The general procedure for the synthesis of 4-chlorobenzamidine hydrochloride from p-chlorobenzonitrile was as follows: a THF solution of 1 M LiHMDS (22 mmol) was added to a dry 50 mL reaction flask, followed by the addition of a 2 mL THF solution of p-chlorobenzonitrile (2.76 g, 20.0 mmol). The reaction mixture was stirred at room temperature for 4 hours. Upon completion of the reaction, 5-6N HCl (in isopropanol, 15 mL) was added. The crude reaction mixture was placed at 0°C overnight. The precipitated product was collected by filtration and washed with ether to give 3.5 g (93% yield) of 4-chlorobenzamidine hydrochloride as a white solid with a melting point of 205 °C (literature value: 243-245 °C) (E. Ragona, D. L. Nelson, M. Mares-Guis, J. Amer. Chem. Soc. EPO 1975,97,. 6844-6848).
- IR (KBr): ν = 3239, 3054, 1678, 1460, 1401, 1036, 715 cm-1.
- 1H NMR (250 MHz, [D6] DMSO): δ = 7.60-7.77 (m, 2H), 7.85-7.97 (m, 2H), 8.4 (br.s, 3H, NH).
- 13C NMR (62.9 MHz, [D6] DMSO): δ = 126.79 (Cquat), 129.36 (+), 130.57 (+), 139.1 (Cquat), 165.1 (NCN). | | References | [1] European Journal of Organic Chemistry, 2006, # 12, p. 2753 - 2765
[2] Patent: WO2006/94604, 2006, A1. Location in patent: Page/Page column 62; 63; 72; 73
[3] Bioorganic and Medicinal Chemistry, 2012, vol. 20, # 17, p. 5235 - 5246
[4] Journal of the American Chemical Society, 1985, vol. 107, # 9, p. 2743 - 2748
[5] Patent: US6218538, 2001, B1 |
| | 4-Chlorobenzene-1-carboximidamide hydrochloride Preparation Products And Raw materials |
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