| Identification | More | [Name]
3-Iodobenzylamine hydrochloride | [CAS]
3718-88-5 | [Synonyms]
3-IODOBENZYLAMINE HCL
3-IODOBENZYLAMINE HYDROCHLORIDE
M-IODOBENZYLAMINE HYDROCHLORIDE
3-iodo-benzenemethanaminhydrochloride
3-lodobenzylamine hydrochloride
3-IODOBENZYLAMINE HYDROCHLORIDE, 98+% | [EINECS(EC#)]
223-068-5 | [Molecular Formula]
C7H9ClIN | [MDL Number]
MFCD00012857 | [Molecular Weight]
269.51 | [MOL File]
3718-88-5.mol |
| Chemical Properties | Back Directory | [Appearance]
white to light yellow crystal powde | [Melting point ]
188-190 °C(lit.) | [storage temp. ]
Keep in dark place,Inert atmosphere,Room temperature | [Water Solubility ]
Soluble in water | [form ]
powder to crystal | [color ]
White to Light yellow | [Sensitive ]
Light Sensitive | [BRN ]
5352277 | [InChI]
InChI=1S/C7H8IN.ClH/c8-7-3-1-2-6(4-7)5-9;/h1-4H,5,9H2;1H | [InChIKey]
PYFDZOCGFHIRST-UHFFFAOYSA-N | [SMILES]
C(C1C=CC=C(I)C=1)N.Cl | [CAS DataBase Reference]
3718-88-5(CAS DataBase Reference) |
| Safety Data | Back Directory | [Hazard Codes ]
Xi,T | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin .
R63:Possible risk of harm to the unborn child.
R42/43:May cause sensitization by inhalation and skin contact . | [Safety Statements ]
S24/25:Avoid contact with skin and eyes .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S23:Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer) . | [WGK Germany ]
3
| [Hazard Note ]
Irritant/Light Sensitive | [HS Code ]
29214990 |
| Hazard Information | Back Directory | [Chemical Properties]
white to light yellow crystal powde | [Uses]
3-Iodobenzylamine hydrochloride was used as the starting reagent in the synthesis of N6-(3-iodobenzyl)-2-substituted-adenosine derivatives. It was used in the synthesis of 3′-C-methyl adenosine N6-substituted and N6/C-2 disubstituted derivatives and novel 2′-C-methyl analogues. | [Synthesis]
The general procedure for the synthesis of 3-iodobenzylamine hydrochloride from the compound (CAS: 200706-60-1) was as follows: 2.0 g (5.6 mmol) of compound (A) and 20 mL of anhydrous ethanol were added to the reaction flask. After heating the mixture to 60°C, an ethanolic solution of hydrazine hydrate (prepared by dissolving 0.42 g, 8.4 mmol of hydrazine hydrate in 3 mL of anhydrous ethanol) was added dropwise under continuous stirring. The reaction was kept heated and stirred for 20 min and a yellow precipitate was observed to be formed. Stirring was stopped and the reaction mixture was kept in a 70°C water bath for 2.5 hours. It was then cooled to room temperature, at which time a large amount of yellow precipitate precipitated. 4 mL of 1 mol/L hydrochloric acid solution was added to the reaction flask to acidify the reaction mixture and stirring was continued for 30 minutes. After completion of the reaction, a filtration operation was carried out, the filtrate was washed with a small amount of water and the filtrates were combined. The combined filtrates were evaporated to dryness under reduced pressure and finally dried under vacuum to give 0.539 g of yellow solid (B) in 35.9% yield. | [References]
[1] Patent: CN106187823, 2016, A. Location in patent: Paragraph 0028; 0029 |
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