HuagongsheHuagongshe Chemistry Print Report · For research reference only
N,N'-Diphenylbenzidine
Diphenylbenzidine · DFRR · N,N'-DiphenyL · DEPHENYLBENZIDINE · TIMTEC-BB SBB002946 · Benzidine, N,N'-diph · N'-Diphenylbenzidine · N,N-Diphenylbenzidne

Identifiers & Physical Properties
| CAS No. | 531-91-9 |
|---|---|
| Molecular formula | C24H20N2 |
| Average molar mass | 336.4 g/mol |
| Monoisotopic mass | 336.16264864 g/mol |
| SMILES | c1ccc(Nc2ccc(-c3ccc(Nc4ccccc4)cc3)cc2)cc1 |
| InChIKey | FDRNXKXKFNHNCA-UHFFFAOYSA-N |
| PubChem CID | 68280 |
| EC No. | 208-521-7 |
| DTXSID | DTXSID0060197 |
Chemical & Physical Properties
| XLogP | 6.6 |
|---|---|
| Topological polar surface area | 24.1 |
| Hydrogen bond donors | 2 |
| Hydrogen bond acceptors | 2 |
| Rotatable bonds | 5 |
| Heavy atoms | 26 |
| Formal charge | 0 |
| Complexity | 343 |
| Chemical classes | Nitrogen Compounds -> Benzidine and Derivatives |
| Physical Description | Solid[Merck Index] Grey odorless powder[Alfa Aesar MSDS] |
| Melting point | 246-248 °C(lit.) |
| Boiling point | 462.9°C (rough estimate) |
| Density | 1.1750 (rough estimate) |
| Vapor density | 11.6 (vs air) |
| Refractive index | 1.7620 (estimate) |
| Flash point | >110°C |
| Storage conditions | Store below +30°C. |
| Solubility | Acetone (Slightly), DMF (Slightly), DMSO (Slightly), Ethyl Acetate (Slightly, Sonicated)Insoluble in water. |
| Physical state | Fine Crystalline Powder |
| pKa (acidity coefficient) | 1.31±0.40(Predicted) |
| Color | Gray to brownish |
| Sensitivity | Light Sensitive |
| Merck | 14,3319 |
| BRN | 2220993 |
| InChI | 1S/C24H20N2/c1-3-7-21(8-4-1)25-23-15-11-19(12-16-23)20-13-17-24(18-14-20)26-22-9-5-2-6-10-22/h1-18,25-26H |
| InChIKey | FDRNXKXKFNHNCA-UHFFFAOYSA-N |
| SMILES | N(c1ccccc1)c2ccc(cc2)-c3ccc(Nc4ccccc4)cc3 |
| CAS DataBase Reference | 531-91-9(CAS DataBase Reference) |
| FDA UNII | 8IO8V406YP |
| NIST Chemistry Reference | [1,1'-Biphenyl]-4,4'-diamine, n,n'-diphenyl-(531-91-9) |
| EPA Substance Registry System | [1,1'-Biphenyl]-4,4'-diamine, N,N'-diphenyl- (531-91-9) |
| UNSPSC Code | 12352116 |
| NACRES | NA.22 |
| GHS pictogram | GHS07,GHS08 |
| Signal word | Warning |
| GHS hazard statements | H302+H312+H332-H351 |
| GHS precautionary statements | P201-P202-P261-P264-P270-P271-P280-P301+P312+P330-P302+P352+P312+P362+P364-P304+P340+P312-P308+P313-P405-P501 |
| Personal protective equipment (PPE) | Eyeshields, Gloves, type N95 (US) |
| Hazard symbols | Xi |
| Safety statements (S) | 22-24/25 |
| UN transport number | 2811 |
| Water hazard class (WGK) | 3 |
| F | 8 |
| TSCA inventory status | TSCA listed |
| Hazard class | 6.1(b) |
| Packing group | III |
| Customs code | 29215900 |
| Storage class | 11 - Combustible Solids |
Safety & Regulations
| GHS classification | WarningH302 (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. |
|---|---|
| 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 summary | May cause irritation[Alfa Aesar MSDS] See Benzidine and Diphenylamine. |
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| F | 8 |
| Personal protective equipment (PPE) | Eyeshields, Gloves, type N95 (US) |
| Water hazard class (WGK) | 3 |
| TSCA inventory status | TSCA listed |
| UN transport number | 2811 |
| Customs code | 29215900 |
| Signal word | Warning |
| GHS pictogram | GHS07,GHS08 |
| Hazard symbols | Xi |
| Safety statements (S) | 22-24/25 |
| Hazard class | 6.1(b) |
| Storage class | 11 - Combustible Solids |
| Packing group | III |
| GHS hazard statements | H302+H312+H332-H351 |
| GHS precautionary statements | P201-P202-P261-P264-P270-P271-P280-P301+P312+P330-P302+P352+P312+P362+P364-P304+P340+P312-P308+P313-P405-P501 |
Applications & Uses
Uses
N,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.
Uses
See diphenylamine.