2,2'-Dinitrobiphenyl
Basic information
- CAS
2436-96-6- Standard SMILES
O=[N+]([O-])c1ccccc1-c1ccccc1[N+](=O)[O-]- InChIKey
QAFJHDNFUMKVIE-UHFFFAOYSA-N- Molecular formula
- C12H8N2O4
- Average molar mass
- 244.2 g/mol
- Monoisotopic mass
- 244.04840674
Overview
2,2'-dinitrobiphenyl is biphenyl substituted with nitro groups at the 2- and 2'-positions. It is a member of biphenyls and a C-nitro compound.
Names & identifiers
- Preferred name
- 2,2'-Dinitrobiphenyl
- IUPAC
- 1-nitro-2-(2-nitrophenyl)benzene
- English name
- 2,2'-Dinitrobiphenyl
- Molecular formula
- C12H8N2O4
- Molecular weight
- 244.2
Names & synonyms
2,2'-Dinitrobiphenyl2436-96-62,2'-Dinitro-1,1'-biphenyl1-nitro-2-(2-nitrophenyl)benzene1,1'-Biphenyl, 2,2'-dinitro-Biphenyl, 2,2'-dinitro-o,o'-binitrobiphenylo,o'-dinitrobiphenylSLW94EVQ4P2,2'-Dinitrobiphenyl, 2,2'-dinitro-EINECS 219-435-4NSC 13356
Show more names
DinitrobiphenylRARECHEM AQ BD 00032,2-DINITROBIPHENYL2,2'-DINITRODIPHENYL2,2'-Dinitrobiphenyl>2,2'-Dinitrobiphenyl,97%2,2'-Dinitrobiphenyl 97%2,2''-DINITROBIPHENYL 99+%
NSC-13356CHEBI:67127DTXSID40179103RefChem:80718DTXCID30101594Biphenyl, 2,2'-dinitro-(8CI)1,1'-Biphenyl, 2,2'-dinitro-(9CI)219-435-4
Database identifiers
- CAS
2436-96-6- PubChem CID
- 75529
- DTXSID
DTXSID40179103- ChEBI
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 91.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 291
Experimental & physicochemical properties
SpringerMaterials PropertiesCrystal structure
Physicochemical properties
- Melting point
- 124 · 124-126 °C(lit.)
- Boiling point
- 305 °C · 305°C
- Density
- 1 · 1,45 g/cm3
- refractive index
- 1.636 · 1.6360 (estimate)
- Flash point
- 305 °C · 305°C
- storage temp.
- 2 · Sealed in dry,2-8°C
- form
- powder to crystal
- color
- White to Light yellow
- Water Solubility
- Insoluble in water
- BRN
- 1579851 · 1579851
- InChI
- 1S/C12H8N2O4/c15-13(16)11-7-3-1-5-9(11)10-6-2-4-8-12(10)14(17)18/h1-8H
- InChIKey
- QAFJHDNFUMKVIE-UHFFFAOYSA-N
- SMILES
- [O-][N+](=O)c1ccccc1-c2ccccc2[N+]([O-])=O
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 43 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information2,2'-Dinitrobiphenyl: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- hs_code
- 29042090
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302+H312+H332-H315-H319-H335
- Precautionary statements
- P261-P264-P270-P271-P280-P301+P312+P330-P302+P352+P312+P362+P364-P304+P340+P312-P305+P351+P338+P337+P313-P501-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Applications
Uses2,2′-Dinitrobiphenyl has been used as an internal standard in the determination of p,p′-DDT in technical and formulated products using gas chromatographic method.
Uses2,2-Dinitrobiphenyl has been used as an internal standard in the determination of p,p-DDT in technical and formulated products using gas chromatographic method
General DescriptionThe electroreduction of 2,2′-dinitrobiphenyl in anionic, cationic, and nonionic micellar solutions has been studied by polarography and cyclic voltammetry.
Upstream & downstream products
Upstream raw materials
Additional notes
DefinitionChEBI: Biphenyl substituted with nitro groups at the 2- and 2'-positions.
Related reactions
2 records
Compound notes
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