Tris(4-iodophenyl)amine
Basic information
- CAS
4181-20-8- Standard SMILES
Ic1ccc(N(c2ccc(I)cc2)c2ccc(I)cc2)cc1- InChIKey
AQGZDWJFOYXGAA-UHFFFAOYSA-N- Molecular formula
- C18H12I3N
- Average molar mass
- 623 g/mol
- Monoisotopic mass
- 622.8104
Names & identifiers
- Preferred name
- Tris(4-iodophenyl)amine
- IUPAC
- 4-iodo-N,N-bis(4-iodophenyl)aniline
- English name
- Tris(4-iodophenyl)amine
- Molecular formula
- C18H12I3N
- Molecular weight
- 623.01
Names & synonyms
Tris(4-iodophenyl)amine4181-20-8DTXSID50430979RefChem:386664DTXCID50381811631-013-5Tris-(4-Iodophenyl)Amine4-iodo-N,N-bis(4-iodophenyl)anilineMFCD01321198C18H12I3NTrisiodophenylamineSCHEMBL985323
Show more names
TITPATris(4-iodophenyLTRI(4-IODOPHENYL)AMINETris(4-iodophenyl)amine,98%3-AMINO-4-ETHYLPYRAZOLE OXALATE4,4',4''-Nitrilotris(1-iodobenzene)Benzenamine, 4-iodo-N,N-bis(4-iodophenyl)-
AKOS015853669CS-W018335SB66586DS-16795T1724tris(p-iodophetris(p-iodophenyl)amineA825662
Database identifiers
- CAS
4181-20-8- PubChem CID
- 9809282
- DTXSID
DTXSID50430979- EC Number
- 631-013-5
- Nikkaji
- J149.789H
Properties
Computed structural properties
- XLogP
- 7.1
- Topological polar surface area
- 3.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 275
Physicochemical properties
- Melting point
- 167 °C · 167 °C
- Boiling point
- 559.5 · 559.5±45.0 °C(Predicted)
- Density
- 2.172 · 2.172±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- solubility
- soluble in Toluene,dichloromethane
- pka
- -5.07 · -5.07±0.50(Predicted)
- form
- Liquid
- color
- Clear colorless
- CAS DataBase Reference
- 4181 · 4181-20-8(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36/37/39-24/25
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
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 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- hs_code
- 29214990
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 26-36/37/39-24/25
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Chemistry & industry
Applications
UsesTris(4-iodophenyl)amine (cas# 4181-20-8) is a useful building block mostly used in the preparation of nanostructures and nanoparticles, such as in the preparation of macrocycle-in-a-macrocycle superstructure with all-gauche conformation by reversible radical association, or in the preparation of supramolecular nanocages on terpyridine building blocks.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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