2-Bromoaniline

CAS No. 615-36-1

Formula: C6H6BrN
Basic Info

2-Bromoaniline is a reagent used in the synthesis of substituted 2-carboxanilides as herbicides and antibacterials. Also used in the synthesis of benzisothiazol-3-one derivatives as caspase-3 inhibitors.

Formula
C6H6BrN
Molecular Weight
172.023
Exact Mass
170.968
LogP
2.6125
PSA
26.02
Synonyms

2-bromophenylamine

2-Bromobenzenamine

1-Bromo-2-aminobenzene

Aniline,o-bromo

Benzenamine, 2-bromo-

ortho-bromoaniline

2-bromo-aniline

o-bromo-aniline

o-Aminobromobenzene

Benzenamine,2-bromo

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Properties
Appearance & Physical State
clear to yellow liquid (or solid)
Density
1.57
Boiling Point
229ºC
Melting Point
29-31ºC
Flash Point
110ºC
Refractive Index
1.617-1.619
Stability
Stable under normal temperatures and pressures.
Storage Condition
2-8ºC
Safety Info
Safety Statements
S26-S36/37/39
WGK Germany
3
Risk Statements
R20/21/22; R36/37/38
HS Code
2930909090
RIDADR
UN 2811 6.1/PG 3
Hazard Class
6.1
Packing Group
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
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ESR Spectrum ESR : OXIDATION WITH PERBENZOIC ACID
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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
1178.5
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.
Normal alkane RI, non-polar column, temperature ramp
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Column Shape
Capillary
Active Phase(℃)
TR-1
Retention index
1173.
Temperature Control
Method
temperature ramp
Comments
30. m/0.32 mm/0.25 μm, Helium, 5. K/min; T<sub>start</sub>: 50. C; T<sub>end</sub>: 300. C
Reference
Gruzdev, I.V.Alferova, M.V.Kondratenok, B.M.Zenkevich, I.G.Gas-chromatographic identification of chloro- and bromosubstituted anilines using retention indicesRus. J. Anal. Chem.2011, 66, 5, 519-524.
Normal alkane RI, non-polar column, temperature ramp
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Column Shape
Capillary
Active Phase(℃)
TR-1
Retention index
1173.
Temperature Control
Method
temperature ramp
Comments
30. m/0.32 mm/0.25 μm, Helium, 5. K/min; T<sub>start</sub>: 50. C; T<sub>end</sub>: 300. C
Reference
Gruzdev, I.V.Filippova, M.V.Zenkevich, I.G.Kondratenok, B.M.Identification of bromination products of chlorosubstituted anilines in aqueous media by using gas chromatographyRus. J. Applied Chem.2011, 84, 10, 1656-1667.
Normal alkane RI, non-polar column, temperature ramp
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Column Shape
Capillary
Active Phase(℃)
Ultra-1
Retention index
1172.
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.

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