Basic information
- Standard SMILES
c1ccc(N=Nc2ccc(Nc3ccccc3)cc2)cc1- InChIKey
VXLFYNFOITWQPM-UHFFFAOYSA-N- Molecular formula
- C18H15N3
- Average molar mass
- 273.3 g/mol
- Monoisotopic mass
- 273.12659748
Names & identifiers
- Preferred name
- 4-Benzeneazodiphenylamine
- IUPAC
- N-phenyl-4-phenyldiazenylaniline
- English name
- 4-(PHENYLAZO)DIPHENYLAMINE
- Molecular formula
- C18H15N3
- Molecular weight
- 273.33
Names & synonyms
4-(Phenylazo)diphenylamine4-BenzeneazodiphenylamineN-Phenyl-4-(phenylazo)aniline4(phenylazo)diphenylamineDTXSID10592384AnilinoazobenzeneAzobenzene, 4anilinoNPhenyl4aminoazobenzene4(Phenylamino)azobenzeneRefChem:518395NPhenyl4(phenylazo)anilineDiphenylamine, 4(phenylazo)
Show more names
BENZENEAZODIPHENYLAMINENsc 747744-Azobenzeneaniline4-anilino-azobenzenP-PHENYLAZODIPHENYLAMINE4- phenazodiphenylamine4-(phenylamino)azobenzene
DTXCID4032588Benzenamine, Nphenyl4(phenylazo)Benzenamine, Nphenyl4(2phenyldiazenyl)202-972-3101-75-74-Anilinoazobenzene4-PhenylazodiphenylamineAzobenzene, 4-anilino-
Database identifiers
- CAS
101-75-7- PubChem CID
- 7575
- DTXSID
DTXSID1059238- EC Number
- 202-972-3
- Nikkaji
- J87.540F
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 36.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 308
Experimental & physicochemical properties
Chemical ClassesDyes -> Azo Dyes
Physical DescriptionOrange powder; [Alfa Aesar MSDS]
Physicochemical properties
- Melting point
- 87 · 87-91 °C
- Boiling point
- 406.35 °C · 406.35°C (rough estimate)
- Density
- 1.0332 · 1.0332 (rough estimate)
- refractive index
- 1.548 · 1.5480 (estimate)
- storage temp.
- room temp
- solubility
- Solubility Insoluble in water; soluble in ethanol, methanol
- pka
- 0.42 · 0.42(at 25℃)
- form
- Fine Crystalline Powder
- color
- Orange
- PH Range
- Red (1.2) to yellow (2.5)
- λmax
- 411 nm, · 411nm, 272nm
- BRN
- 749359 · 749359
- Major Application
- Display device, nonlinear optial (NLO) material, photoresists, printing plates, lithographic plates, photosensitive materials, photography, markers
- InChI
- InChI=1S/C18H15N3/c1-3-7-15(8-4-1)19-16-11-13-18(14-12-16)21-20-17-9-5-2-6-10-17/h1-14,19H
- InChIKey
- VXLFYNFOITWQPM-UHFFFAOYSA-N
- SMILES
- C1(NC2=CC=CC=C2)=CC=C(N=NC2=CC=CC=C2)C=C1
- CAS DataBase Reference
- 101 · 101-75-7(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- EPA Substance Registry System
- -4 · Benzenamine, N-phenyl-4-(phenylazo)- (101-75-7)
- UNSPSC Code
- 12171500 · 12171500
- NACRES
- 47 · NA.47
- 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
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
- RIDADR
- 3234 · 3234
- WGK Germany
- 1 · 1
- RTECS
- 185000 · JK0185000
- TSCA
- TSCA listed
- HS Code
- 29270000 · 29270000
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Toxicity
- 50 ivn-mus: · LD50 ivn-mus: 56 mg/kg CSLNX* NX#03760
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 9.8% (5 of 51) of reports.
Warning
H302 (11.8%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 51 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazards SummaryIntravenous LD50 (mouse) = 56 mg/kg; [RTECS] A skin and strong eye irritant; Harmful by ingestion; [Alfa Aesar MSDS]
Hazard Classes and CategoriesAcute Tox. 4 (11.8%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 1
- tsca
- TSCA listed
- rtecs
- JK0185000
- ridadr
- 3234
- hs_code
- 29270000
- Toxicity
- LD50 ivn-mus: 56 mg/kg CSLNX* NX#03760
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- 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 InformationBenzenamine, N-phenyl-4-(2-phenyldiazenyl)-: ACTIVE
Applications
Uses4-(Phenylazo)diphenylamine is a soluble azo dye and stain. Dyes and metabolites.
Upstream & downstream products
Upstream raw materials
Suppliers50 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
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Related reactions
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