Welcome to LookChem.com Sign In|Join Free
  • or
Home > Products >  > 

4-Aminobenzyl cyanide

Related Products

Hot Products

Name

4-Aminobenzyl cyanide

EINECS 222-587-4
CAS No. 3544-25-0 Density 1.12 g/cm3
PSA 49.81000 LogP 1.91608
Solubility slightly soluble in water Melting Point 45-48 °C(lit.)
Formula C8H8N2 Boiling Point 312 °C at 760 mmHg
Molecular Weight 132.165 Flash Point 136.3 °C
Transport Information UN 3276 Appearance yellow to brown crystalline powder, crystals
Safety 36/37 Risk Codes 20/21/22
Molecular Structure Molecular Structure of 3544-25-0 (4-Aminophenylacetonitrile) Hazard Symbols HarmfulXn
Synonyms

(4-Aminophenyl)acetonitrile;(p-Aminophenyl)acetonitrile;2-(4-Aminophenyl)acetonitrile;4-Aminophenylacetonitrile;4-Amino phenylacetonitrile;

Article Data 79

4-Aminobenzyl cyanide Specification

The Benzeneacetonitrile, 4-amino-, with the CAS registry number 3544-25-0, is also known as (4-Aminophenyl)acetonitrile. It belongs to Aromatic Nitriles, Phenyls PhenylHet. Its EINECS number is 222-587-4. This chemical's molecular formula is C8H8N2 and molecular weight is 132.16. What's more, its IUPAC name is called 2-(4-aminophenyl)acetonitrile.

Physical properties of Benzeneacetonitrile, 4-amino- are: (1)ACD/LogP: 0.17; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.14; (5)ACD/LogD (pH 7.4): 0.17; (6)ACD/BCF (pH 5.5): 1; (7)ACD/BCF (pH 7.4): 1; (8)ACD/KOC (pH 5.5): 27.81; (9)ACD/KOC (pH 7.4): 29.34; (10)#H bond acceptors: 2; (11)#H bond donors: 2; (12)#Freely Rotating Bonds: 2; (13)Polar Surface Area: 27.03 Å2; (14)Index of Refraction: 1.592; (15)Molar Refractivity: 39.95 cm3; (16)Molar Volume: 117.9 cm3; (17)Surface Tension: 52.8 dyne/cm; (18)Density: 1.12 g/cm3; (19)Flash Point: 136.3 °C; (20)Enthalpy of Vaporization: 55.3 kJ/mol; (21)Boiling Point: 312 °C at 760 mmHg; (22)Vapour Pressure:  0.000544 mmHg at 25°C.

Uses of Benzeneacetonitrile, 4-amino-: it can be used to produce acetic acid-(4-cyanomethyl-anilide) at the ambient temperature. It will need reagent triethanolamine and solvent dimethylformamide with reaction time of 16 hours. The yield is about 71%.

When you are using this chemical, please be cautious about it as the following:
It is harmful by inhalation, in contact with skin and if swallowed. When using it, you should wear suitable protective clothing and gloves.

You can still convert the following datas into molecular structure:
(1)SMILES: C1=CC(=CC=C1CC#N)N
(2)InChI: InChI=1S/C8H8N2/c9-6-5-7-1-3-8(10)4-2-7/h1-4H,5,10H2
(3)InChIKey: YCWRFIYBUQBHJI-UHFFFAOYSA-N

Post a RFQ

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

1

What can I do for you?
Get Best Price

Get Best Price for 3544-25-0