Carbon tetrabromide
- Formula: CBr4
- Molecular weight: 331.627
- IUPAC Standard InChI: InChI=1S/CBr4/c2-1(3,4)5
- IUPAC Standard InChIKey: HJUGFYREWKUQJT-UHFFFAOYSA-N
- CAS Registry Number: 558-13-4
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Other names: Methane, tetrabromo-; Carbon bromide (CBr4); Methane tetrabromide; Tetrabromomethane; CBr4; Carbon bromide; Bromid uhlicity; UN 2516; NSC 6179
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IR Spectrum
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Data compiled by: Coblentz Society, Inc.
- SOLID (KBr DISC); BECKMAN IR-9 (GRATING); DIGITIZED BY COBLENTZ SOCIETY (BATCH I) FROM HARD COPY; 2 cm-1 resolution
- SOLUTION (10% CCl4 FOR 3800-1350, 10% CS2 FOR 1350-400 CM-1) $$ 99.99% PRINCETON ORGANICS; DOW KBr FOREPRISM-GRATING; DIGITIZED BY COBLENTZ SOCIETY (BATCH I) FROM HARD COPY; 2 cm-1 resolution
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Mass spectrum (electron ionization)
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Spectrum
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Additional Data
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| Owner | NIST Mass Spectrometry Data Center Collection (C) 2014 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
|---|---|
| Origin | Japan AIST/NIMC Database- Spectrum MS-NW-2301 |
| NIST MS number | 230282 |
UV/Visible spectrum
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Spectrum
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Additional Data
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| Source | Dorr and Buttgereit, 1971 |
|---|---|
| Owner | INEP CP RAS, NIST OSRD Collection (C) 2007 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
| Origin | INSTITUTE OF ENERGY PROBLEMS OF CHEMICAL PHYSICS, RAS |
| Source reference | RAS UV No. 19862 |
| Instrument | Zeiss PMQ II |
| Melting point | 91.5-92 |
Vibrational and/or electronic energy levels
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: Takehiko Shimanouchi
Symmetry: Td Symmetry Number σ = 12
| Sym. | No | Approximate | Selected Freq. | Infrared | Raman | Comments | ||||
|---|---|---|---|---|---|---|---|---|---|---|
| Species | type of mode | Value | Rating | Value | Phase | Value | Phase | |||
| a1 | 1 | Sym str | 267 | C | ia | 267 p | solid solid | |||
| e | 2 | Deg deform | 122 | C | ia | 122 dp | solid solid | |||
| f2 | 3 | Deg str | 672 | C | 672 VS | liq. | 671 dp | solid solid | ||
| f2 | 4 | Deg deform | 182 | C | 182 dp | solid solid | ||||
Source: Shimanouchi, 1972
Notes
| VS | Very strong |
| ia | Inactive |
| p | Polarized |
| dp | Depolarized |
| C | 3~6 cm-1 uncertainty |
Gas Chromatography
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Kovats' RI, non-polar column, isothermal
| Column type | Active phase | Temperature (C) | I | Reference | Comment |
|---|---|---|---|---|---|
| Packed | OV-1 | 100. | 1046. | Castello and Gerbino, 1988 | He, Chromosorb W DMCS; Column length: 3. m |
| Packed | OV-1 | 125. | 1060. | Castello and Gerbino, 1988 | He, Chromosorb W DMCS; Column length: 3. m |
| Packed | OV-1 | 75. | 1035. | Castello and Gerbino, 1988 | He, Chromosorb W DMCS; Column length: 3. m |
Kovats' RI, polar column, isothermal
| Column type | Active phase | Temperature (C) | I | Reference | Comment |
|---|---|---|---|---|---|
| Packed | SP-1000 | 100. | 1677.81 | Castello and Gerbino, 1988 | He, Chromosorb W DMCS; Column length: 3. m |
| Packed | SP-1000 | 125. | 1690.77 | Castello and Gerbino, 1988 | He, Chromosorb W DMCS; Column length: 3. m |
Normal alkane RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Methyl Silicone | 1050. | Zenkevich, 2001 | Program: not specified |
| Capillary | OV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc. | 1054. | Waggott and Davies, 1984 | Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified |
References
Go To: Top, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, Vibrational and/or electronic energy levels, Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Dorr and Buttgereit, 1971
Dorr, F.; Buttgereit, G.,
UV atlas of organic compounds, 1971, 5, I/1. [all data]
Shimanouchi, 1972
Shimanouchi, T.,
Tables of Molecular Vibrational Frequencies Consolidated Volume I, National Bureau of Standards, 1972, 1-160. [all data]
Castello and Gerbino, 1988
Castello, G.; Gerbino, T.C.,
Effect of Temperature on the Gas Chromatographic Separation of Halogenated Compounds on Polar and Non-Polar Stationary Phases,
J. Chromatogr., 1988, 437, 33-45, https://doi.org/10.1016/S0021-9673(00)90369-8
. [all data]
Zenkevich, 2001
Zenkevich, I.G.,
Comparative Characterization of Conditions for Unambuguous Chromatographic Identification of Organic Compounds,
Zh. Anal. Khim., 2001, 56, 9, 915-924. [all data]
Waggott and Davies, 1984
Waggott, A.; Davies, I.W.,
Identification of organic pollutants using linear temperature programmed retention indices (LTPRIs) - Part II, 1984, retrieved from http://dwi.defra.gov.uk/research/completed-research/reports/dwi0383.pdf. [all data]
Notes
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- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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