p-Terphenyl, 4,4''-dinitro-
Basic information
- CAS
3282-11-9- Standard SMILES
O=[N+]([O-])c1ccc(-c2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)cc1- InChIKey
MHOAYDHUNGLDTB-UHFFFAOYSA-N- Molecular formula
- C18H12N2O4
- Average molar mass
- 320.3 g/mol
- Monoisotopic mass
- 320.07970687
Names & identifiers
- Preferred name
- p-Terphenyl, 4,4''-dinitro-
- IUPAC
- 1,4-bis(4-nitrophenyl)benzene
- English name
- 4,4''-Dinitro-p-terphenyl
- Molecular formula
- C18H12N2O4
- Molecular weight
- 320.3
Names & synonyms
3282-11-9p-Terphenyl, 4,4''-dinitro-DTXSID40186493RefChem:1094218DTXCID501089844,4''-Dinitro-p-terphenyl1,4-bis(4-nitrophenyl)benzene4,4-DINITRO-P-TERPHENYL4,4''-Dinitro-1,1':4',1''-terphenylMFCD000517434,4''-Dinitro-(1,1',4',1'')terphenylNSC516219
Show more names
p,p-dinitro-p-terphenyl4,4''-Dinitro-p-terphenyl>1,4-bis(4-nitrophenyl)benzene4,4''-Dinitro-p-terphenyl, 98+%4,4'-DINITRO-(1,1',4',1')TERPHENYL4,4''-Dinitro-p-terphenyl in toluene
p,p''-Dinitro-p-terphenylSCHEMBL64239194,4''-Dinitro-(para-terphenyl)AKOS003238609NSC 516219NSC-516219SB66711SY101079
Database identifiers
- CAS
3282-11-9- PubChem CID
- 101423
- DTXSID
DTXSID40186493- EC Number
- 681-795-7
- Nikkaji
- J891.181I
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 91.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 393
Experimental & physicochemical properties
SpringerMaterials PropertiesClearing parameter
Physicochemical properties
- Melting point
- 277 · 277-278°C
- Boiling point
- 534.4 · 534.4±30.0 °C(Predicted)
- Density
- 1.314 · 1.314±0.06 g/cm3(Predicted)
- form
- powder to crystal
- color
- Light orange to Yellow to Green
- BRN
- 2160043 · 2160043
- Symbol(GHS)
- 7 · GHS07
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
- Risk Statements
- 20 · 20/21/22
- Safety Statements
- 22 · 22-36/37/39
- HS Code
- 2904.2 · 2904.20.4500
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 4 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Safety data
- hs_code
- 2904.20.4500
- risk_code
- 20/21/22
- Symbol(GHS)
- GHS07
- safety_code
- 22-36/37/39
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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