ChemicalBook--->CAS DataBase List--->3718-88-5

3718-88-5

3718-88-5 Structure

3718-88-5 Structure
IdentificationMore
[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 PropertiesBack 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 DataBack 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
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Irrit. 2
Repr. 2
Resp. Sens. 1
Skin Irrit. 2
Skin Sens. 1
STOT SE 3
Hazard InformationBack 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]

N-(3-Iodobenzyl)phthalimide

200706-60-1

3-Iodobenzylamine hydrochloride

3718-88-5

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
Spectrum DetailBack Directory
[Spectrum Detail]

3-Iodobenzylamine hydrochloride(3718-88-5)1HNMR
3-Iodobenzylamine hydrochloride(3718-88-5)IR
3-Iodobenzylamine hydrochloride(3718-88-5)Raman
3-Iodobenzylamine hydrochloride(3718-88-5)FT-IR
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

3-Iodobenzylamine hydrochloride, 97%(3718-88-5)
[Alfa Aesar]

3-Iodobenzylamine hydrochloride, 98+%(3718-88-5)
[Sigma Aldrich]

3718-88-5(sigmaaldrich)
[TCI AMERICA]

3-Iodobenzylamine Hydrochloride,>95.0%(N)(3718-88-5)
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