Benzene, 2-bromo-1,3,5-trimethyl-

Formula: C₉H₁₁Br
Molecular weight: 199.088
IUPAC Standard InChI: InChI=1S/C9H11Br/c1-6-4-7(2)9(10)8(3)5-6/h4-5H,1-3H3
IUPAC Standard InChIKey: RRTLQRYOJOSPEA-UHFFFAOYSA-N
CAS Registry Number: 576-83-0
Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
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Other names: Mesitylene, 2-bromo-; Bromomesitylene; Mesityl bromide; 1-Bromo-2,4,6-trimethylbenzene; 2-Bromomesitylene; 2,4,6-Trimethylbromobenzene; 2,4,6-Trimethylphenyl bromide; 2-Bromo-1,3,5-trimethylbenzene; NSC 8064
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Phase change data

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Data compiled by: Robert L. Brown and Stephen E. Stein

Quantity	Value	Units	Method	Reference	Comment
T_boil	498.2	K	N/A	Weast and Grasselli, 1989
T_boil	498.	K	N/A	American Tokyo Kasei, 1988

Reduced pressure boiling point

T_boil (K)	Pressure (atm)	Reference
379.2	0.021	Weast and Grasselli, 1989
381. to 383.	0.026	Frinton Laboratories Inc., 1986

Gas Chromatography

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Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Kovats' RI, non-polar column, isothermal

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Column type	Active phase	Temperature (C)	I	Reference	Comment
Packed	Squalane	130.	1254.	Cook and Raushel, 1972	He, Chromosorb W AW DMCS (80-100 mesh)

Van Den Dool and Kratz RI, non-polar column, temperature ramp

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Column type	Active phase	I	Reference	Comment
Capillary	OV-1	1239.5	Gautzsch and Zinn, 1996	8. K/min; T_start: 35. C; T_end: 300. C

References

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Weast and Grasselli, 1989
CRC Handbook of Data on Organic Compounds, 2nd Editon, Weast,R.C and Grasselli, J.G., ed(s)., CRC Press, Inc., Boca Raton, FL, 1989, 1. [all data]

American Tokyo Kasei, 1988
American Tokyo Kasei, TCI American Organic Chemical 88/89 Catalog, American Tokyo Kasei, Portland, OR, 1988, 1610. [all data]

Frinton Laboratories Inc., 1986
Frinton Laboratories Inc., Catalog Number 11, Frinton Laboratories Inc., Vineland, NJ, 1986, 99. [all data]

Cook and Raushel, 1972
Cook, L.E.; Raushel, F.M., Calculation of retention indices for benzene and benzene derivatives on the basis of molecular structure, J. Chromatogr., 1972, 65, 3, 556-559, https://doi.org/10.1016/S0021-9673(00)85001-3 . [all data]

Gautzsch and Zinn, 1996
Gautzsch, R.; Zinn, P., Use of incremental models to estimate the retention indexes of aromatic compounds, Chromatographia, 1996, 43, 3/4, 163-176, https://doi.org/10.1007/BF02292946 . [all data]

Notes

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Symbols used in this document:

T_boil Boiling point
Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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