Basic information
- CAS
84-68-4- Standard SMILES
Nc1ccc(-c2ccc(N)cc2Cl)c(Cl)c1- InChIKey
XKXPBJBODVHDAW-UHFFFAOYSA-N- Molecular formula
- C12H10Cl2N2
- Average molar mass
- 253.12 g/mol
- Monoisotopic mass
- 252.0221037
Names & identifiers
- Preferred name
- 2,2'-Dichlorobenzidine
- IUPAC
- 4-(4-amino-2-chlorophenyl)-3-chloroaniline
- English name
- 2,2'-dichlorobenzidine
- Molecular formula
- C12H10Cl2N2
- Molecular weight
- 253.13
Names & synonyms
2,2'-Dichlorobenzidineo-DichlorobenzidineCCRIS 9442,2'-dichloro[1,1'-biphenyl]-4,4'-diamineBenzidine, 2,2'-dichloro-[1,1'-Biphenyl]-4,4'-diamine, 2,2'-dichloro-EINECS 201-552-7UNII-1BZE6L344RBRN 28076111BZE6L344R2,2'-Dichloro(1,1'-biphenyl)-4,4'-diamine2,2'-Dichloro-(1,1'-biphenyl)-4,4'-diamine
Show more names
Gentamycin Sulfate Impurity 252,2'-Dichlorobiphenyl-4,4'-diamine2,2'-Dichloro-4,4'-diaminobiphenyl4,4’-Diamino-2,2’-dichlorobiphenyl4,4'-Diamino-2,2'-dichlorobiphenyl4-(4-amino-2-chlorophenyl)-3-chloroaniline[1,1'-Biphenyl]-4,4'-diamine,2,2'-dichloro-4-(4-azanyl-2-chloro-phenyl)-3-chloro-aniline4-(4-amino-2-chlorophenyl)-3-chlorobenzenamine
(1,1'-Biphenyl)-4,4'-diamine, 2,2'-dichloro-DTXSID102328902,2'-Dichloro-[1,1'-biphenyl]-4,4'-diamineDICHLOROBENZIDINE, 2,2'-4-13-00-00384 (Beilstein Handbook Reference)2,2'-DICHLOROBENZIDINE [MI]RefChem:80702DTXCID40155381
Database identifiers
- CAS
84-68-4- PubChem CID
- 66538
- DTXSID
DTXSID10232890- UNII
- 1BZE6L344R
- EC Number
- 201-552-7
- Nikkaji
- J3.881D
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 52 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 213
Experimental & physicochemical properties
SpringerMaterials PropertiesCrystal structure
Physicochemical properties
- Melting point
- 165 °C · 165°C
- Boiling point
- 398.89 °C · 398.89°C (rough estimate)
- Density
- 1.3171 · 1.3171 (rough estimate)
- refractive index
- 1.64 · 1.6400 (estimate)
- pka
- 3.58 · 3.58±0.10(Predicted)
- FDA UNII
- 1 BZE6L344R · 1BZE6L344R
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- HazardClass
- IRRITANT
- HS Code
- 2921599090 · 2921599090
Safety & regulation
Safety data
- hs_code
- 2921599090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
Uses4,4''-Diamino-2,2''-Dichlorobiphenyl is a useful reactant for the synthesis of benzidine, L-proline, and diaminofluorene derivatives which are hepatitis C virus NS5A inhibitors.
Uses3,3' -Dichlorobenzidine was introduced about 1932 and is now the most important diphenyl base. It is used as the starting material for pigments with yellow and red shades. These are used for coloring printing inks, paints, plastics, and rubbers. The important diarylide yellow pigments, which are incorrectly known as benzidine yellows, are formed by the combination of 3,3' - dichlorobenzidine with acetic acid arylides. 3,3' - Dichlorobenzidine is also used in the production of polyurethane rubbers.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers18 total
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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