Basic information
- CAS
3722-79-0- Standard SMILES
O=[N+]([O-])c1ccc(OCCCOc2ccc([N+](=O)[O-])cc2)cc1- InChIKey
LWXLFOWPHMXKCX-UHFFFAOYSA-N- Molecular formula
- C15H14N2O6
- Average molar mass
- 318.28 g/mol
- Monoisotopic mass
- 318.08518617
Names & identifiers
- Preferred name
- 1,3-Bis(4-nitrophenoxy)propane
- IUPAC
- 1-nitro-4-[3-(4-nitrophenoxy)propoxy]benzene
- English name
- 1,3-Bis(4-Nitrophenoxy)propane
- Molecular formula
- C15H14N2O6
- Molecular weight
- 318.28146
Names & synonyms
1,3-Bis(4-nitrophenoxy)propaneRefChem:414008653-243-51,3-Bis-(p-nitrophenoxy)propane3722-79-01-Nitro-4-[3-(4-nitrophenoxy)propoxy]benzeneNSC 829531,1'-[1,3-Propanediylbis(oxy)]bis[4-nitrobenzene]C15H14N2O6NSC82953Maybridge1_005919NCIOpen2_009132
Show more names
1,1′-[1,3-Propanediylbis(oxy)]bis[4-nitrobenzene]
SCHEMBL95705751,3-bis(p-nitrophenoxy)propaneHMS558F01CCG-730DTXSID20292465LWXLFOWPHMXKCX-UHFFFAOYSA-NNSC-82953Propane, 1,3-bis(p-nitrophenoxy)-
Database identifiers
- CAS
3722-79-0- PubChem CID
- 256293
- DTXSID
DTXSID20292465- EC Number
- 653-243-5
- Nikkaji
- J516.348J
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 342
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical structure
Physicochemical properties
- Symbol(GHS)
- 9 · GHS09
- Signal word
- Warning
- Hazard statements
- 400 · H400
- Precautionary statements
- 273 · P273-P391-P501
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
H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
P273, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAquatic Acute 1 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS09
- Hazard statements
- H400
- Precautionary statements
- P273-P391-P501
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers4 total
湖南嘉航医药科技有限公司85521272 18229978283 · [email protected]
常州锐博生物科技有限公司0519-81884608 18205027398 · [email protected]
Shanghai Daken Advanced Materials Co.,Ltd+86-2158073036 · [email protected]
上海肯恩化学科技有限公司13701870891; 02152215958 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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