CAS 5348-42-5|4,5-DICHLORO-1,2-PHENYLENEDIAMINE|4,5-dichlorobenzene-1,2-diamine|4,5-dichlorobenzene-1,2-diamine|1,2-Diamino-4,5-dichlorobenzene|1,2-二氨基-4,5-二氯苯|4,5-二氯-1,2-苯二胺|4,5-Dichloro...

General Information

Structure

Molecular Formula

C₆H₆Cl₂N₂

Molecular Mass

177.03124

Exact Mass

175.99080356

Charge

InChI

InChI=1S/C6H6Cl2N2/c7-3-1-5(9)6(10)2-4(3)8/h1-2H,9-10H2

InChIKey

IWFHBRFJOHTIPU-UHFFFAOYSA-N

Canonic Smiles

Nc1cc(Cl)c(cc1N)Cl

Isomeric Smiles

Nc1c(cc(c(c1)Cl)Cl)N

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

1.5224746

LogD (pH = 7.4)

1.5234705

Log P

1.5234833

Molar Refractivity

45.0684

Polarizability

16.411676

Polar Surface Area

52.04

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Synonyms

4,5-DICHLORO-1,2-PHENYLENEDIAMINE1,2-二氨基-4,5-二氯苯4,5-二氯-1,2-苯二胺4,5-Dichloro-1,2-phenylenediamine1,2-Diamino-4,5-dichlorobenzene4,5-二氯邻苯二胺4,5-Dichloro-o-phenylenediamine4,5-dichlorobenzene-1,2-diamine4,5-Dichloro-o-phenylenediamine4,5-Dichloro-o-phenylenediamine4,5-Dichloro-phenylenediamine4,5-Dichloro-1,2-benzenediamine4,5-Dichlorobenzene-1,2-diamine 98%4,5-Dichlorophenylene-1,2-diamineNSC 15774,5-Dichloro-1,2-diaminobenzene4,5-DICHLORO-o-PHENYLENE-DIAMINE

IUPAC Traditional name

4,5-dichlorobenzene-1,2-diamine

IUPAC name

4,5-dichlorobenzene-1,2-diamine

Names and Identifiers

Registration numbers

MDL Number

MFCD00007723

CAS Number

5348-42-5

PubChem SID

1620762782486229224894087