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

4-Amino-3-chloro-5-methylbenzonitrile

Related Products

Hot Products

Basic Information Post buying leads Suppliers
Name

4-Amino-3-chloro-5-methylbenzonitrile

EINECS -0
CAS No. 158296-69-6 Density 1.27g/cm3
PSA 49.81000 LogP 2.68348
Solubility N/A Melting Point 126 °C
Formula C8H7ClN2 Boiling Point 302 °C at 760 mmHg
Molecular Weight 166.61 Flash Point 136.5 °C
Transport Information N/A Appearance N/A
Safety 22-36/37 Risk Codes 20/21/22
Molecular Structure Molecular Structure of 158296-69-6 (4-AMINO-3-CHLORO-5-METHYLBENZONITRILE) Hazard Symbols IrritantXi
Synonyms

2-Chloro-4-cyano-6-methylaniline;4-Amino-3-chloro-5-methylbenzonitrile;

 

4-Amino-3-chloro-5-methylbenzonitrile Specification

The 4-Amino-3-chloro-5-methylbenzonitrile with cas registry number of 158296-69-6, has the systematic name of 4-amino-3-chloro-5-methylbenzonitrile. And it is also called Benzonitrile, 4-amino-3-chloro-5-methyl-.

Physical properties about this chemical are: (1)ACD/LogP: 2.61; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.61; (4)ACD/LogD (pH 7.4): 2.61; (5)ACD/BCF (pH 5.5): 56.33; (6)ACD/BCF (pH 7.4): 56.33; (7)ACD/KOC (pH 5.5): 623.46; (8)ACD/KOC (pH 7.4): 623.46; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 27.03 Å2; (13)Index of Refraction: 1.594; (14)Molar Refractivity: 44.38 cm3; (15)Molar Volume: 130.7 cm3; (16)Polarizability: 17.59×10-24cm3; (17)Surface Tension: 55.1 dyne/cm; (18)Enthalpy of Vaporization: 54.22 kJ/mol; (19)Vapour Pressure: 0.00102 mmHg at 25°C.

Uses of 4-Amino-3-chloro-5-methylbenzonitrile: it can be used to produce 4-benzothiazol-2-yl-2-chloro-6-methyl-phenylamine. This reaction will need reagent PPA. The reaction time is 4 hour(s) with reaction temperature of 220 ℃. The yield is about 62%.

When you are using this chemical, please be cautious about it as the following:
The 4-Amino-3-chloro-5-methylbenzonitrile is also harmful by inhalation and if swallowed. So avoid to breathe dust. When use it, wear suitable protective clothing and gloves.

You can still convert the following datas into molecular structure: 
(1)SMILES: Clc1cc(C#N)cc(c1N)C;
(2)InChI: InChI=1/C8H7ClN2/c1-5-2-6(4-10)3-7(9)8(5)11/h2-3H,11H2,1H3;
(3)InChIKey: NDTNVCCDQAOBSZ-UHFFFAOYAL;
(4)Std. InChI: InChI=1S/C8H7ClN2/c1-5-2-6(4-10)3-7(9)8(5)11/h2-3H,11H2,1H3;
(5)Std. InChIKey: NDTNVCCDQAOBSZ-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 158296-69-6