Basic information
- CAS
4181-05-9- Standard SMILES
O=Cc1ccc(N(c2ccccc2)c2ccccc2)cc1- InChIKey
UESSERYYFWCTBU-UHFFFAOYSA-N- Molecular formula
- C19H15NO
- Average molar mass
- 273.3 g/mol
- Monoisotopic mass
- 273.1153641
Names & identifiers
- Preferred name
- Benzaldehyde, 4-(diphenylamino)-
- IUPAC
- 4-(N-phenylanilino)benzaldehyde
- English name
- 4-(N,N-Diphenylamino)benzaldehyde
- Molecular formula
- C19H15NO
- Molecular weight
- 273.33
Names & synonyms
4-(Diphenylamino)benzaldehyde4181-05-9Benzaldehyde, 4-(diphenylamino)-DTXSID7063340NSC 156558RefChem:561361DTXCID5039989628-054-64-(N,N-Diphenylamino)benzaldehyde4-Diphenylaminobenzaldehyde4-(N-phenylanilino)benzaldehyde4-Formyltriphenylamine
Show more names
8332494-DiphenyLJACS-4181-5-94-(N,N-Diphenylamino4-Diphenylaminobenzaldehyde,98%
MFCD00145131p-FormyltriphenylamineC19H15NO4-(diphenylamino)-benzaldehyd4-Diphenylamino-benzaldehydep-diphenylaminobenzaldehydemonoclinic4-(n,n-diphenylamino)-benzaldehyde
Database identifiers
- CAS
4181-05-9- PubChem CID
- 77846
- DTXSID
DTXSID7063340- EC Number
- 628-054-6
- Nikkaji
- J106.073B
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 292
Physicochemical properties
- Melting point
- 129 · 129-133 °C (lit.)
- Boiling point
- 436.8 · 436.8±28.0 °C(Predicted)
- Density
- 1.176 · 1.176±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- solubility
- Soluble in methanol.
- pka
- -5.61 · -5.61±0.30(Predicted)
- form
- Solid
- color
- Pale yellow
- Sensitive
- Air Sensitive
- BRN
- 2732795 · 2732795
- InChI
- InChI=1S/C19H15NO/c21-15-16-11-13-19(14-12-16)20(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-15H
- InChIKey
- UESSERYYFWCTBU-UHFFFAOYSA-N
- SMILES
- C(=O)C1=CC=C(N(C2=CC=CC=C2)C2=CC=CC=C2)C=C1
- CAS DataBase Reference
- 4181 · 4181-05-9(CAS DataBase Reference)
- EPA Substance Registry System
- 4 · Benzaldehyde, 4-(diphenylamino)- (4181-05-9)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
- target organs
- Respiratory system
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
- Hazard Codes
- Xi,Xn
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
- WGK Germany
- 3 · 3
- F
- 8 · 8
- TSCA
- TSCA listed
- HS Code
- 29223990 · 29223990
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 43 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationChemical: Benzaldehyde, 4-(diphenylamino)-
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- F
- 8
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29223990
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi,Xn
- safety_code
- 26-36
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzaldehyde, 4-(diphenylamino)-: INACTIVE
Applications
Uses4-(N,N-Diphenylamino)benzaldehyde (DPAB) excited by visible-light could be reductively quenched by a RAFT reagent 4-cynao-4-(phenylcarbonothioylthio)pentanoic acid. Besides, DPAB as a photoredox catalyst was also successfully used in synthesis of α,ω-dithiol and α,ω-divinyl telechelic polythioether oligomers through thiol-ene click polymerization of 1,4-benzenedimethane (BDMT) and diethylene glycol divinyl ether (DEGVE)[1].
UsesIt is used as pharmaceutical intermediate.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
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Related reactions
68 records
Compound notes
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