N,N'-Diphenylbenzidine
Basic information
- CAS
531-91-9- Standard SMILES
c1ccc(Nc2ccc(-c3ccc(Nc4ccccc4)cc3)cc2)cc1- InChIKey
FDRNXKXKFNHNCA-UHFFFAOYSA-N- Molecular formula
- C24H20N2
- Average molar mass
- 336.4 g/mol
- Monoisotopic mass
- 336.16264865
Names & identifiers
- Preferred name
- N,N'-Diphenylbenzidine
- IUPAC
- 4-(4-anilinophenyl)-N-phenylaniline
- English name
- N,N'-Diphenylbenzidine
- Molecular formula
- C24H20N2
- Molecular weight
- 336.43
Names & synonyms
N,N'-Diphenylbenzidine531-91-9N4,N4'-Diphenyl-[1,1'-biphenyl]-4,4'-diamineDiphenylbenzidineBenzidine, N,N'-diphenyl-[1,1'-Biphenyl]-4,4'-diamine, N,N'-diphenyl-UNII-8IO8V406YP8IO8V406YPNSC 4310NSC-4310EINECS 208-521-7N4,N4'Diphenyl4,4'diamine
Show more names
DFRRN,N'-DiphenyLDEPHENYLBENZIDINETIMTEC-BB SBB002946Benzidine, N,N'-diphN'-DiphenylbenzidineN,N-DiphenylbenzidneN,N'-DiphenylbenzidiSYM-DIPHENYLBENZIDINE
AI3-18241DTXSID0060197N(4),N(4')-Diphenyl-biphenyl-4,4'-diamine(1,1'-Biphenyl)-4,4'-diamine, N,N'-diphenyl-4,4'Bis(phenylamino)1,1'biphenylN,N'-DIPHENYLBENZIDINE [MI](1,1'Biphenyl)4,4'diamine, N4,N4'diphenyl4,4'-BIS(PHENYLAMINO)-1,1'-BIPHENYL
Database identifiers
- CAS
531-91-9- PubChem CID
- 68280
- DTXSID
DTXSID0060197- UNII
- 8IO8V406YP
- EC Number
- 208-521-7
- Nikkaji
- J6.982E
Properties
Computed structural properties
- XLogP
- 6.6
- Topological polar surface area
- 24.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 343
Experimental & physicochemical properties
Chemical ClassesNitrogen Compounds -> Benzidine and Derivatives
Physical DescriptionSolid; [Merck Index] Grey odorless powder; [Alfa Aesar MSDS]
Physicochemical properties
- Melting point
- 246 · 246-248 °C(lit.)
- Boiling point
- 462.9 °C · 462.9°C (rough estimate)
- Density
- 1.175 · 1.1750 (rough estimate)
- vapor density
- 11.6 · 11.6 (vs air)
- refractive index
- 1.762 · 1.7620 (estimate)
- Flash point
- 110 °C · >110°C
- storage temp.
- 30 °C · Store below +30°C.
- solubility
- Acetone (Slightly), DMF (Slightly), DMSO (Slightly), Ethyl Acetate (Slightly, Sonicated)
- form
- Fine Crystalline Powder
- pka
- 1.31 · 1.31±0.40(Predicted)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P203, P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P318, P321, P330, P362+P364, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: [1,1'-Biphenyl]-4,4'-diamine, N,N'-diphenyl-
[1,1'-Biphenyl]-4,4'-diamine, N,N'-diphenyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryMay cause irritation; [Alfa Aesar MSDS] See Benzidine and Diphenylamine.
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- F
- 8
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- 2811
- hs_code
- 2921590090
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS08
- hazard_code
- Xi
- safety_code
- 22-24/25
- hazard_class
Chemistry & industry
Uses & manufacturing
UsesSee Diphenylamine. [Merck Index]
General Manufacturing Information[1,1'-Biphenyl]-4,4'-diamine, N4,N4'-diphenyl-: ACTIVE
Applications
UsesN,N'-Diphenylbenzidine is an indicator suitable for redox titrations, e.g. with dichromate or cerium(IV) sulfate 1,2. It is also used as intermediates in organic synthesis.
UsesSee diphenylamine.
Upstream & downstream products
Upstream raw materials
Related reactions
12 records
Compound notes
Loading…