Basic information
- CAS
57609-63-9- Standard SMILES
O=C(OCCCOC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1- InChIKey
DGEHMXCYTLBOBT-UHFFFAOYSA-N- Molecular formula
- C17H14N2O8
- Average molar mass
- 374.3 g/mol
- Monoisotopic mass
- 374.07501541
Names & identifiers
- Preferred name
- 1,3-Propanediol, 1,3-bis(4-nitrobenzoate)
- IUPAC
- 3-(4-nitrobenzoyl)oxypropyl 4-nitrobenzoate
- English name
- 1,3-Propanediol di-p-nitrobenzoate
- Molecular formula
- C17H14N2O8
- Molecular weight
- 374.3
Names & synonyms
1,3-Propanediol, bis(4-nitrobenzoate)57609-63-91,3-Propanediol di-p-nitrobenzoate1,3-Propanediol, 1,3-bis(4-nitrobenzoate)DTXSID3069198NSC 61629RefChem:72926DTXCID5042245DGEHMXCYTLBOBT-UHFFFAOYSA-NNSC61629SCHEMBL11309248NSC-61629
Show more names
1,3-bis(4-nitrobenzoyloxy)propaneBis(4-nitrobenzoic acid)1,3-propanediyl ester
propane-1,3-diyl bis(4-nitrobenzoate)3-[(4-Nitrobenzoyl)oxy]propyl 4-nitrobenzoate #
Database identifiers
- CAS
57609-63-9- PubChem CID
- 93733
- DTXSID
DTXSID3069198- Nikkaji
- J429.349E
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 144 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 8
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 492
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical structure
Physicochemical properties
- EPA Substance Registry System
- 1 · 1,3-Propanediol, bis(4-nitrobenzoate) (57609-63-9)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1,3-Propanediol, 1,3-bis(4-nitrobenzoate): INACTIVE
Upstream & downstream products
Downstream products
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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