3-Iodobenzylamine hydrochloride supplier

Name
Benzenemethanamine,3-iodo-, hydrochloride (1:1)
EINECS 223-068-5
CAS No. 3718-88-5
Article Data2
CAS DataBase
Density
Solubility Soluble in water
Melting Point 188-190 °C(lit.)
Formula C₇H₈IN^.HCl
Boiling Point 272.5 °C at 760 mmHg
Molecular Weight 269.513
Flash Point 118.6 °C
Transport Information
Appearance White to light yellow crystal powder
Safety 24/25-36/37/39-26-23
Risk Codes 36/37/38-63-42/43
Molecular Structure
Hazard Symbols Xi, T
Synonyms Benzenemethanamine,3-iodo-, hydrochloride (9CI);Benzylamine, m-iodo-, hydrochloride (7CI,8CI);m-Iodobenzylamine hydrochloride;
PSA 26.02000
LogP 3.25220

3-Iodobenzylamine hydrochloride Specification

The 3-Iodobenzylamine hydrochloride, with CAS registry number 3718-88-5, belongs to the following product categories: (1)Anilines, Aromatic Amines and Nitro Compounds; (2)Anilines, Amides & Amines; (3)Iodine Compounds; (4)Amine Salts; (5)Nitrogen Compounds; (6)Organic Building Blocks. It has the systematic name of 1-(3-iodophenyl)methanamine hydrochloride. This chemical is a kind of white to light yellow crystal powder.

Physical properties of 3-Iodobenzylamine hydrochloride: (1)ACD/LogP: 2.12; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.87; (4)ACD/LogD (pH 7.4): 0.39; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 6.27; (9)#H bond acceptors: 1; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 3.24 Å²; (13)Enthalpy of Vaporization: 51.08 kJ/mol; (14)Vapour Pressure: 0.00605 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The 3-Iodobenzylamine hydrochloride irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice. This chemical may cause sensitization by inhalation and skin contact, so do not breathe vapour and avoid contact with skin and eyes. What's more, it has possible risk of harm to the unborn child.

You can still convert the following datas into molecular structure:
(1)SMILES: Ic1cc(ccc1)CN.Cl
(2)InChI: InChI=1/C7H8IN.ClH/c8-7-3-1-2-6(4-7)5-9;/h1-4H,5,9H2;1H
(3)InChIKey: PYFDZOCGFHIRST-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C7H8IN.ClH/c8-7-3-1-2-6(4-7)5-9;/h1-4H,5,9H2;1H
(5)Std. InChIKey: PYFDZOCGFHIRST-UHFFFAOYSA-N

Product Name

Benzenemethanamine,3-iodo-, hydrochloride (1:1)

3-Iodobenzylamine hydrochloride Specification

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