CAS No.90271-86-6,5-Bromo-3-cyanoindole Suppliers

Products Categories

Pharmaceutical (37)
Organic Chemicals (13)
Others (4)
Reagent (3)

Basic Information

Molecular Structure:
CAS No.:	90271-86-6
Name:	5-Bromo-3-cyanoindole
Article Data:	23

Formula:	C₉H₅BrN₂
Molecular Weight:	221.056
Synonyms:	Indole-3-carbonitrile,5-bromo- (6CI,7CI);5-Bromo-1H-indole-3-carbonitrile;5-Bromo-3-cyano-1H-indole;5-Bromoindole-3-carbonitrile;
Density:	1.74 g/cm³
Boiling Point:	405.9 °C at 760 mmHg
Flash Point:	199.3 °C
PSA:	39.58000
LogP:	2.80208

Total:51 Page 1 of 2 1 2 Next>>

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 90271-86-6

Specification

The 5-Bromo-3-cyanoindole, with the CAS registry number 90271-86-6, has the systematic name of 5-bromo-1H-indole-3-carbonitrile. It belongs to the following product categories: Pharmacetical; Indole; Organohalides. And the molecular formula of the chemical is C₉H₅BrN₂.

The characteristics of this chemical are as followings: (1)ACD/LogP: 3.18; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.18; (4)ACD/LogD (pH 7.4): 3.18; (5)ACD/BCF (pH 5.5): 152.85; (6)ACD/BCF (pH 7.4): 152.85; (7)ACD/KOC (pH 5.5): 1273.83; (8)ACD/KOC (pH 7.4): 1273.83; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 28.72 Å²; (13)Index of Refraction: 1.726; (14)Molar Refractivity: 50.52 cm³; (15)Molar Volume: 127 cm³; (16)Polarizability: 20.02×10^-24cm³; (17)Surface Tension: 72.2 dyne/cm; (18)Density: 1.74 g/cm³; (19)Flash Point: 199.3 °C; (20)Enthalpy of Vaporization: 65.76 kJ/mol; (21)Boiling Point: 405.9 °C at 760 mmHg; (22)Vapour Pressure: 8.44E-07 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Brc1cc2c(cc1)ncc2C#N
(2)InChI: InChI=1/C9H5BrN2/c10-7-1-2-9-8(3-7)6(4-11)5-12-9/h1-3,5,12H
(3)InChIKey: ZPUQCVKBNRGSAP-UHFFFAOYAA