CAS No.115905-43-6,2-BROMO-1-METHYL-1H-IMIDAZOLE-4,5-DICARBONITRILE Suppliers

Products Categories

Pharmaceutical (24)
Organic Chemicals (7)
Others (2)
Reagent (1)

Basic Information

Molecular Structure:
CAS No.:	115905-43-6
Name:	2-BROMO-1-METHYL-1H-IMIDAZOLE-4,5-DICARBONITRILE
Article Data:	3

Formula:	C₆H₃BrN₄
Molecular Weight:	211.02
Synonyms:	1-Methyl-2-bromo-4,5-dicyanoimidazole;1-Methyl-2-bromoimidazole-4,5-dicarbonitrile;
Density:	1.74 g/cm³
Boiling Point:	463.72 °C at 760 mmHg
Flash Point:	234.25 °C
PSA:	65.40000
LogP:	0.92596

Country:
- China (Mainland)(33)
- United Kingdom(1)
Business Type:
All

Lab/Research institutions

Trading Company

Manufacturers

Other
Certificate:
Manufacturer

Enterprise Authentication

ISO

GMP

FDA

HALAL

Display:default sort
Suppiers of more reward points first

New supplier

Total:31 Page 1 of 1 1

Post a RFQ

Cas No.:

Product Name:

Quantity:

Email:

Company name:

Valid Period:

Detailed Requirements:

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)

What can I do for you?
Get Best Price

Get Best Price for 115905-43-6

Specification

The 1H-Imidazole-4,5-dicarbonitrile,2-bromo-1-methyl-, with its CAS registry number 115905-43-6, has the systematic name of 2-bromo-1-methyl-1H-imidazole-4,5-dicarbonitrile. With the molecular foumula of C₆H₃BrN₄, its formula weight is 211.02.

The characteristics of 1H-Imidazole-4,5-dicarbonitrile,2-bromo-1-methyl- are as follows: (1)ACD/LogP: 0.07; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.07; (4)ACD/LogD (pH 7.4): 0.07; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 26.01; (8)ACD/KOC (pH 7.4): 26.01; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 65.4 Å²; (13)Index of Refraction: 1.68; (14)Molar Refractivity: 45.85 cm³; (15)Molar Volume: 121.2 cm³; (16)Polarizability: 18.17×10^-24cm³; (17)Surface Tension: 58.5 dyne/cm; (18)Density: 1.73 g/cm³; (19)Flash Point: 234.2 °C; (20)Enthalpy of Vaporization: 72.5 kJ/mol; (21)Boiling Point: 463.7 °C at 760 mmHg; (22)Vapour Pressure: 8.87E-09 mmHg at 25°C.

What's more, the following datas could be converted into the molecular structure:
(1)SMILES:N#Cc1c(C#N)nc(Br)n1C
(2)InChI:InChI=1/C6H3BrN4/c1-11-5(3-9)4(2-8)10-6(11)7/h1H3
(3)InChIKey:ROALCCYWMDMWON-UHFFFAOYAP
(4)Std. InChI:InChI=1S/C6H3BrN4/c1-11-5(3-9)4(2-8)10-6(11)7/h1H3
(5)Std. InChIKey:ROALCCYWMDMWON-UHFFFAOYSA-N