2-Chloronitrobenzene

CAS No. 88-73-3

Formula: C6H4ClNO2
Basic Info

2-Nitrochlorobenzene is an organic compound with the formula ClC6H4NO2. It is a yellow crystalline solid that is important as a precursor to other compounds due to the two reactive sites present on the molecule.

Formula
C6H4ClNO2
Molecular Weight
157.554
Exact Mass
156.993
LogP
2.7714
PSA
45.82
Synonyms

2-Nitrochlorobenzene

Benzene, 1-chloro-2-nitro-

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Properties
Appearance & Physical State
Faint yellow to yellow casting body or oily liquid.
Density
1.348
Boiling Point
246ºC
Melting Point
32-34ºC
Flash Point
124ºC
Refractive Index
1.56747 (35ºC)
Water Solubility
0.43 g/L (20 ºC)
Stability
Stable. Combustible. Incompatible with strong oxidizing agents, reducing agents, strong bases, alkali metals.
Storage Condition
Store in a cool, dry place. Keep container closed when not in use. Store in a cool, dry, well-ventilated area away from incompatible substances.
Vapor Density
5.4 (vs air)
Vapor Pressure
0.04 mm Hg ( 25 °C)
Safety Info
RTECS
CZ0875000
Safety Statements
S28-S36/37/39-S38-S45-S60
WGK Germany
2
Risk Statements
R22; R24; R52/53
HS Code
29049085
RIDADR
UN 1578
Hazard Class
6.1
Packing Group
II
Hazard Codes
Spectrum
NMR Spectrum 1H NMR : parameter in CDCl3
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IR Spectrum IR : KBr disc
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Mass Spectrum Mass spectrum (electron ionization)
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Raman Spectrum Raman : 4880 A,100M,powder
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ESR Spectrum ESR : ANION RADICAL, ELECTROLYTIC REDUCTION
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Analysis Methods
Van Den Dool and Kratz RI, non-polar column, custom temperature program
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Column Shape
Capillary
Active Phase(℃)
5 % Phenyl methyl siloxane
Retention index
1241.
Temperature Control
Method
custom temperature program
Comments
25. m/0.31 mm/0.52 μm, He; Program: 50C(2min) => (20C/min) => 120C => (7C/min) => 310C(10min)
Reference
Yasuhara, A.Shiraishi, H.Nishikawa, M.Yamamoto, T.Uehiro, T.Nakasugi, O.Okumura, T.Kenmotsu, K.Fukui, H.Nagase, M.Ono, Y.Kawagoshi, Y.Baba, K.Noma, Y.Determination of organic components in leachates from hazardous waste disposal sites in Japan by gas chromatography-mass spectrometryJ. Chromatogr. A1997, 774, 1-2, 321-332.
Normal alkane RI, non-polar column, temperature ramp
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Column Shape
Capillary
Active Phase(℃)
Ultra-1
Retention index
1195.
Temperature Control
Method
temperature ramp
Comments
25. m/0.32 mm/0.25 μm, He, 3. K/min; T<sub>start</sub>: 80. C; T<sub>end</sub>: 260. C
Reference
Okumura, T.retention indices of environmental chemicals on methyl silicone capillary columnJournal of Environmental Chemistry (Japan)1991, 1, 2, 333-358.
Normal alkane RI, non-polar column, custom temperature program
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Column Shape
Capillary
Active Phase(℃)
SPB-1
Retention index
1193.
Temperature Control
Method
custom temperature program
Comments
Column length: 30. m; Column diameter: 0.32 mm; Program: not specified
Reference
Vezzani, S.Moretti, P.Castello, G.Fast and Accurate Method for the Automatic Prediction of Programmed-Temperature Retention TimesJ. Chromatogr. A1994, 677, 2, 331-343.
Normal alkane RI, non-polar column, custom temperature program
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Column Shape
Capillary
Active Phase(℃)
OV-1
Retention index
1199.
Temperature Control
Method
custom temperature program
Comments
Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified
Reference
Waggott, A.Davies, I.W.Identification of organic pollutants using linear temperature programmed retention indices (LTPRIs) - Part II1984, retrieved from http://dwi.defra.gov.uk/research/completed-research/reports/dwi0383.pdf.
Normal alkane RI, polar column, custom temperature program
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Column Shape
Capillary
Active Phase(℃)
Superox 0.6; Carbowax 20M
Retention index
1946.
Temperature Control
Method
custom temperature program
Comments
Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified
Reference
Waggott, A.Davies, I.W.Identification of organic pollutants using linear temperature programmed retention indices (LTPRIs) - Part II1984, retrieved from http://dwi.defra.gov.uk/research/completed-research/reports/dwi0383.pdf.
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