structure of 4-Bromo-2,6-dichlorobenzonitrile

4-Bromo-2,6-dichlorobenzonitrile

CAS No.: 99835-27-5
M. Wt: 250.908
M. Fa: C7H2BrCl2N
InChI Key: NKWBLKGGKNHCSU-UHFFFAOYSA-N
Appearance: Brown Solid

Names and Identifiers of 4-Bromo-2,6-dichlorobenzonitrile

CAS Number

99835-27-5

MDL Number

MFCD14702850

IUPAC Name

4-bromo-2,6-dichlorobenzonitrile

InChI

InChI=1S/C7H2BrCl2N/c8-4-1-6(9)5(3-11)7(10)2-4/h1-2H

InChIKey

NKWBLKGGKNHCSU-UHFFFAOYSA-N

Canonical SMILES

C1=C(C=C(C(=C1Cl)C#N)Cl)Br

UNII

C6393BH22T

UNSPSC Code

12352100

Physical and chemical properties of 4-Bromo-2,6-dichlorobenzonitrile

Boiling Point

318.9±37.0 °C at 760 mmHg

Density

1.9±0.1 g/cm3

Exact Mass

248.874756

Flash Point

146.7±26.5 °C

Index of Refraction

1.638

LogP

3.45

Molecular Formula

C7H2BrCl2N

Molecular Weight

250.908

PSA

23.79000

Storage condition

Sealed in dry,Room Temperature

Vapour Pressure

0.0±0.7 mmHg at 25°C

Safety Information of 4-Bromo-2,6-dichlorobenzonitrile

Pictograms

Signal Word

 Warning

Safety Data Sheet
Supports customized editing of SDS information and downloading in PDF documents.

Physical sample testing spectrum (NMR) of 4-Bromo-2,6-dichlorobenzonitrile

Physical sample testing spectrum (NMR) of 4-Bromo-2,6-dichlorobenzonitrile

Retrosynthesis analysis of 4-Bromo-2,6-dichlorobenzonitrile

  • Route#1

    Cas:697-88-1
    Cas:99835-27-5

  • Route#2

    Cas:623-00-7
    Cas:99835-27-5