1-iodo-2-methylbenzene

CAS No. 615-37-2

Formula: C7H7I
Basic Info

Formula
C7H7I
Molecular Weight
218.035
Exact Mass
217.959
LogP
2.5996
PSA
0
Synonyms

2-Iodotoluene

2-methyliodobenzene

ortho-iodotoluene

o-iodotoluene

2-methylphenyl iodide

Benzene, 1-iodo-2-methyl-

Toluene,o-iodo

o-tolyl iodide

Benzene,1-iodo-2-methyl

o-Methyliodobenzene

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Properties
Appearance & Physical State
clear yellow liquid
Density
1.713
Boiling Point
211ºC
Flash Point
90ºC
Refractive Index
1.608-1.61
Stability
Stable under normal temperatures and pressures.
Storage Condition
Keep away from heat, sparks, and flame. Keep away from sources of ignition. Keep container closed when not in use. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
Safety Info
Safety Statements
S26-S36
WGK Germany
3
Risk Statements
R36/37/38
HS Code
29036990
RIDADR
UN 2810
Hazard Codes
Spectrum
NMR Spectrum 1H NMR : 400 MHz in CDCl3
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IR Spectrum IR : liquid film
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Mass Spectrum Mass spectrum (electron ionization)
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ESR Spectrum ESR : GAMMA-RAY IRRAD., ADSORBED ON SILICA-GEL, 77K
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Analysis Methods
Van Den Dool and Kratz RI, non-polar column, temperature ramp
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Column Shape
Capillary
Active Phase(℃)
OV-1
Retention index
1122.4
Temperature Control
Method
temperature ramp
Comments
8. K/min; T<sub>start</sub>: 35. C; T<sub>end</sub>: 300. C
Reference
Gautzsch, R.Zinn, P.Use of incremental models to estimate the retention indexes of aromatic compoundsChromatographia1996, 43, 3/4, 163-176.
Van Den Dool and Kratz RI, non-polar column, temperature ramp
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Column Shape
Packed
Active Phase(℃)
SE-30
Retention index
1150.
Temperature Control
Method
temperature ramp
Comments
He, Chromosorb AW, 40. C @ 10. min, 10. K/min, 210. C @ 30. min; Column length: 3.05 m
Reference
Buchman, O.Cao, G.-Y.Peng, C.T.Structure assignment by retention index in gas-liquid radiochromatography of substituted cyclohexenesJ. Chromatogr.1984, 312, 75-90.
Normal alkane RI, non-polar column, custom temperature program
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Column Shape
Packed
Active Phase(℃)
SE-30
Retention index
1150.
Temperature Control
Method
custom temperature program
Comments
He, Chromosorb AW; Column length: 3.05 m; Program: not specified
Reference
Buchman, O.Cao, G.-Y.Peng, C.T.Structure assignment by retention index in gas-liquid radiochromatography of substituted cyclohexenesJ. Chromatogr.1984, 312, 75-90.
Normal alkane RI, non-polar column, custom temperature program
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Column Shape
Capillary
Active Phase(℃)
OV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc.
Retention index
1149.
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(℃)
Carbowax 400, Carbowax 20M, Carbowax 1540, Carbowax 4000, Superox 06, PEG 20M, etc.
Retention index
1749.
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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