Basic information
- CAS
5329-21-5- Standard SMILES
CC(C)(c1ccc(O)c([N+](=O)[O-])c1)c1ccc(O)c([N+](=O)[O-])c1- InChIKey
LISYARSNTHASDG-UHFFFAOYSA-N- Molecular formula
- C15H14N2O6
- Average molar mass
- 318.28 g/mol
- Monoisotopic mass
- 318.08518617
Overview
genotoxic; structure in first source
Names & identifiers
- Preferred name
- 3,3'-Dinitrobisphenol A
- IUPAC
- 4-[2-(4-hydroxy-3-nitrophenyl)propan-2-yl]-2-nitrophenol
- English name
- 2,2-bis(4-hydroxy-3-nitrophenyl)propane
- Molecular formula
- C15H14N2O6
- Molecular weight
- 318.28
Names & synonyms
5329-21-5RefChem:9105423,3'-Dinitrobisphenol A4-[2-(4-hydroxy-3-nitrophenyl)propan-2-yl]-2-nitrophenol2,2-BIS(4-HYDROXY-3-NITROPHENYL)PROPANE4,4'-propane-2,2-diylbis(2-nitrophenol)DINITROBISPHENOL A3,3'-Dinitrodian4,4'-(PROPANE-2,2-DIYL)BIS(2-NITROPHENOL)NSC-1881SUB3DJ24JLMLS002637596
Show more names
Phenol, 4,4'-(1-methylethylidene)bis[2-nitro-
Phenol, 4,4'-isopropylidenebis(2-nitro-4,4'-(2,2-Propanediyl)bis(2-nitrophenol)4,4'-(1-methylethylidene)bis(2-nitrophenol)NSC1881UNII-SUB3DJ24JLOprea1_810154SCHEMBL69884CBDivE_007764
Database identifiers
- CAS
5329-21-5- PubChem CID
- 219958
- DTXSID
DTXSID40277355- ChEMBL
CHEMBL1704162- UNII
- SUB3DJ24JL
- Nikkaji
- J802.078G
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 132 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 418
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- FDA UNII
- 3 DJ24JL · SUB3DJ24JL
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers3 total
衢州爱美康生物科技有限公司0570-3081766 18357083060 · [email protected]
成都标样生物科技有限公司028-81700200 13308200041 · [email protected]
上海凌凯科技股份有限公司021-58950110 13124863828 · [email protected]
Related reactions
2 records
Compound notes
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