2-Bromotoluene

CAS No. 95-46-5

Formula: C7H7Br
Basic Info

Formula
C7H7Br
Molecular Weight
171.034
Exact Mass
169.973
LogP
2.7575
PSA
0
Synonyms

Benzene, 1-bromo-2-methyl-

2-bromo-1-methylbenzene

ortho-bromotoluene

toluene,2-bromo

2-Bromtoluol

2-tolylbromide

O-TOLYL BROMIDE

1-bromo-2-methylbenzene

o-bromo-toluen

2-methylbromobenzene

2-bromo-toluen

2-bromo toluene

O-BROMOTOLUENE

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Properties
Appearance & Physical State
liquid
Density
1.423
Boiling Point
181.5ºC
Melting Point
-27ºC
Flash Point
78ºC
Refractive Index
1.555-1.557
Stability
Stable. Incompatible with strong oxidizing agents.
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
RTECS
XS7965500
Safety Statements
S26-S37/39
WGK Germany
3
Risk Statements
R22; R36/37/38
HS Code
29036990
Packing Group
I; II; III
Hazard Codes
Spectrum
NMR Spectrum 1H NMR : 90 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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Raman Spectrum Raman : 4880 A,150M,liquid
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Analysis Methods
Kovats' RI, non-polar column, isothermal
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Column Shape
Capillary
Active Phase(℃)
DB-5
Retention index
1053.73
Temperature Control
110.
Method
isothermal
Comments
30. m/0.53 mm/1.5 μm, N2
Reference
Gerbino, T.C.Garbarino, G.Petit-Bon, P.Programmed temperature retention indices: calculation of linear programmed temperature retention indices of halogenated benzenes from isothermal dataAnn. Chim. (Rome)1996, 86, 63-75.
Kovats' RI, non-polar column, isothermal
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Column Shape
Capillary
Active Phase(℃)
DB-5
Retention index
1032.58
Temperature Control
70.
Method
isothermal
Comments
30. m/0.53 mm/1.5 μm, N2
Reference
Gerbino, T.C.Garbarino, G.Petit-Bon, P.Programmed temperature retention indices: calculation of linear programmed temperature retention indices of halogenated benzenes from isothermal dataAnn. Chim. (Rome)1996, 86, 63-75.
Kovats' RI, non-polar column, isothermal
expand collapse
Column Shape
Capillary
Active Phase(℃)
DB-5
Retention index
1042.66
Temperature Control
90.
Method
isothermal
Comments
30. m/0.53 mm/1.5 μm, N2
Reference
Gerbino, T.C.Garbarino, G.Petit-Bon, P.Programmed temperature retention indices: calculation of linear programmed temperature retention indices of halogenated benzenes from isothermal dataAnn. Chim. (Rome)1996, 86, 63-75.
Van Den Dool and Kratz RI, non-polar column, temperature ramp
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Column Shape
Capillary
Active Phase(℃)
OV-1
Retention index
1016.9
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
expand collapse
Column Shape
Capillary
Active Phase(℃)
DB-5
Retention index
1022.72
Temperature Control
Method
temperature ramp
Comments
30. m/0.53 mm/1.5 μm, N2, 2. K/min; T<sub>start</sub>: 50. C
Reference
Gerbino, T.C.Garbarino, G.Petit-Bon, P.Programmed temperature retention indices: calculation of linear programmed temperature retention indices of halogenated benzenes from isothermal dataAnn. Chim. (Rome)1996, 86, 63-75.

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