Basic information
- CAS
3365-85-3- Standard SMILES
Nc1ccc(-c2ccc(-c3ccc(N)cc3)cc2)cc1- InChIKey
QBSMHWVGUPQNJJ-UHFFFAOYSA-N- Molecular formula
- C18H16N2
- Average molar mass
- 260.3 g/mol
- Monoisotopic mass
- 260.13134851
Overview
structure given in first source
Names & identifiers
- Preferred name
- 4,4''-Diaminoterphenyl
- IUPAC
- 4-[4-(4-aminophenyl)phenyl]aniline
- English name
- 4,4''-Diamino-p-terphenyl
- Molecular formula
- C18H16N2
- Molecular weight
- 260.33
Names & synonyms
3365-85-34,4''-Diaminoterphenyl[1,1':4',1''-Terphenyl]-4,4''-diamine2SS7U3PDG8(1,1':4',1''-Terphenyl)-4,4''-diamineDTXSID40187329RefChem:506357DTXCID001098204,4''-DAT4,4''-Diamino-p-terphenyl4-[4-(4-aminophenyl)phenyl]aniline4,4'-Diamino-p-terphenyl
Show more names
4,4’’-diaminoterphenylAKOS AUF02006p-Terphenylenediamine4,4 '- Diaminotriphenyl4,4''-Diamino-p-terphenyl>4,4''-diaminoparatribiphenyl
MFCD00051532SCHEMBL258287p-Terphenyl, 4,4''-diamineCS-0110264CCRIS 49654,4-Diamino-4-terphenyl4,4''-Diaminoterphenyl; 4-[4-(4-Aminophenyl)phenyl]aniline; p,p'-DiaminoterphenylBB 0221227
Database identifiers
- CAS
3365-85-3- PubChem CID
- 104949
- DTXSID
DTXSID40187329- UNII
- 2SS7U3PDG8
- EC Number
- 677-188-1
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 52 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 250
Experimental & physicochemical properties
SpringerMaterials PropertiesClearing parameter
Physicochemical properties
- Melting point
- 242 · 242-244°C
- Boiling point
- 484.2 · 484.2±25.0 °C(Predicted)
- Density
- 1.159 · 1.159±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- solubility
- soluble in Tetrahydrofuran,Acetone
- pka
- 4.59 · 4.59±0.10(Predicted)
- Appearance
- White to light yellow Solid
- BRN
- 2120295 · 2120295
- InChI
- InChI=1S/C18H16N2/c19-17-9-5-15(6-10-17)13-1-2-14(4-3-13)16-7-11-18(20)12-8-16/h1-12H,19-20H2
- InChIKey
- QBSMHWVGUPQNJJ-UHFFFAOYSA-N
- SMILES
- C1(C2=CC=C(C3=CC=C(N)C=C3)C=C2)=CC=C(N)C=C1
- FDA UNII
- 2 SS7U3PDG8 · 2SS7U3PDG8
Safety & regulation
GHS classification
GHS Classification
Danger
H302 (83.3%): Harmful if swallowed [Warning Acute toxicity, oral]
P203, P261, P264, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P317, P318, P321, P330, P362+P364, P391, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 6 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 CategoriesAcute Tox. 4 (83.3%)
Safety data
- ridadr
- 2811
- hs_code
- 29215900
- risk_code
- 20/21/22-45
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS08
- safety_code
- 45-53
- packing_group
- II
- Hazard statements
- H302+H312+H332-H350-H302-H341
- Precautionary statements
- P301+P312a-P501a-P201-P202-P261-P264-P270-P271-P280-P301+P312+P330-P302+P352+P312+P362+P364-P304+P340+P312-P308+P313-P405-P501
Chemistry & industry
Applications
Uses4,4''-Diamino-p-terphenyl can be used to make selective hydrogen sensors that have high sensitivity, low consumption, and no cross-sensitivity to methane and ethane even at their operating temperatures and higher. Moreover, it is also used for studies of Symmetry breakdown of 4,4″-diamino-p-terphenyl on a Cu(111) surface by lattice mismatch[1-2].
Upstream & downstream products
Upstream raw materials
Suppliers100 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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