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86-00-0

86-00-0 Structure

86-00-0 Structure
IdentificationMore
[Name]

2-Nitrodiphenyl
[CAS]

86-00-0
[Synonyms]

2-NITROBIPHENYL
2-NITRODIPHENYL
o-Nitrobiphenyl
O-NITRODIPHENYL
TIMTEC-BB SBB008510
1’-Biphenyl,2-nitro-1
2-Nitro-1,1’-biphenyl
2-Nitro-1,1'-biphenyl
2-nitro-1’-biphenyl
2-nitro-bipheny
2-phenylnitrobenzene
Biphenyl, 2-nitro-
cp368
Onb
Nitrodiphenyl
ORTHO-NITROBIPHENYL
ORTHO-NITRODIPHENYL
1-Nitro-2-phenylbenzene
2-Nitrobiphneyl
[EINECS(EC#)]

201-646-8
[Molecular Formula]

C12H9NO2
[MDL Number]

MFCD00007126
[Molecular Weight]

199.21
[MOL File]

86-00-0.mol
Chemical PropertiesBack Directory
[Appearance]

CLEAR YELLOW LIQUID AFTER MELTING
[Melting point ]

36-38 °C(lit.)
[Boiling point ]

320 °C
[density ]

1.44
[vapor density ]

5.9 (vs air)
[vapor pressure ]

2 mm Hg ( 140 °C)
[refractive index ]

1.613-1.615
[Fp ]

>230 °F
[form ]

powder to lump
[color ]

White to Yellow to Green
[Water Solubility ]

Insoluble
[Merck ]

6591
[InChI]

InChI=1S/C12H9NO2/c14-13(15)12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9H
[InChIKey]

YOJKKXRJMXIKSR-UHFFFAOYSA-N
[SMILES]

C1(C2=CC=CC=C2)=CC=CC=C1[N+]([O-])=O
[CAS DataBase Reference]

86-00-0(CAS DataBase Reference)
[NIST Chemistry Reference]

1,1'-Biphenyl, 2-nitro-(86-00-0)
[EPA Substance Registry System]

86-00-0(EPA Substance)
Safety DataBack Directory
[Hazard Codes ]

Xn
[Risk Statements ]

R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
R40:Limited evidence of a carcinogenic effect.
R68:Possible risk of irreversible effects.
R22:Harmful if swallowed.
[Safety Statements ]

S2:Keep out of the reach of children .
S7:Keep container tightly closed .
S36:Wear suitable protective clothing .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S36/37:Wear suitable protective clothing and gloves .
[WGK Germany ]

3
[RTECS ]

DV5530000
[HS Code ]

2904.20.5000
Raw materials And Preparation ProductsBack Directory
[Preparation Products]

2-Aminobiphenyl-->2,7-Dibromo-9,9'-spiro-bifluorene-->2,5-Dibromobiphenyl-->N-methylbiphenyl-2-amine-->4'-iodo-2-nitro-1,1'-biphenyl
Hazard InformationBack Directory
[General Description]

Gold to tan crystals or brown solid.
[Reactivity Profile]

Aromatic nitro compounds, such as 2-NITRO-1,1'-BIPHENYL(86-00-0), range from slight to strong oxidizing agents. If mixed with reducing agents, including hydrides, sulfides and nitrides, they may begin a vigorous reaction that culminates in a detonation. The aromatic nitro compounds may explode in the presence of a base such as sodium hydroxide or potassium hydroxide even in the presence of water or organic solvents. The explosive tendencies of aromatic nitro compounds are increased by the presence of multiple nitro groups.
[Air & Water Reactions]

Insoluble in water.
[Fire Hazard]

This compound is combustible.
[Chemical Properties]

CLEAR YELLOW LIQUID AFTER MELTING
[Uses]

2-Nitrobiphenyl is used as a plasticizer for resins, cellulose acetate, cellulose nitrate, and polystyrenes; as a fungicide for textiles; as a wood preservative; and as a dye intermediate.
[Synthesis Reference(s)]

Tetrahedron Letters, 36, p. 6567, 1995 DOI: 10.1016/0040-4039(95)01327-E
[Purification Methods]

Crystallise it from EtOH (seeding required). Sublime it under vacuum. [Beilstein 5 H 582, 5 I 273, 5 II 487, 5 III 1750.]
[References]

[1] A. SEKINE. 2-nitrobiphenyl and 2,2’-dinitrobiphenyl[J]. Acta crystallographica. Section C, Crystal structure communications, 1994, 26 1: 1101-1104. DOI:10.1107/S0108270194001009.
[2] YOST Y. Carbazole from o-biphenylhydroxylamine and from 2-nitrobiphenyl and phenylmagnesium bromide[J]. Journal of Heterocyclic Chemistry, 1972, 9 1: 151-152. DOI:10.1002/jhet.5570090128.
[3] EVA HORAKOVA. Voltammetric Determination of 2-Nitrobiphenyl and 4-Nitrobiphenyl Using a Mercury Meniscus Modified Silver Solid Amalgam Electrode[J]. International Journal of Electrochemical Science, 2015, 10 3: Pages 2155-2169. DOI:10.1016/S1452-3981(23)04837-X.
[4] JIRO HIGUCHI. Electron paramagnetic resonance study on the triplet species produced from 2-nitrobiphenyl derivatives by UV irradiation[J]. Journal of Photochemistry and Photobiology A-chemistry, 1999, 124 1: Pages 53-65. DOI:10.1016/S1010-6030(99)00075-1.
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

2-Nitrodiphenyl(86-00-0).msds
Spectrum DetailBack Directory
[Spectrum Detail]

2-Nitrodiphenyl(86-00-0)MS
2-Nitrodiphenyl(86-00-0)1HNMR
2-Nitrodiphenyl(86-00-0)13CNMR
2-Nitrodiphenyl(86-00-0)IR1
2-Nitrodiphenyl(86-00-0)IR2
2-Nitrodiphenyl(86-00-0)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

2-Nitrobiphenyl, 97%(86-00-0)
[Sigma Aldrich]

86-00-0(sigmaaldrich)
[TCI AMERICA]

2-Nitrobiphenyl,>98.0%(GC)(86-00-0)
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