1,3-Propanediol, 2,2-bis(bromomethyl)-
- Formula: C5H10Br2O2
- Molecular weight: 261.940
- IUPAC Standard InChI: InChI=1S/C5H10Br2O2/c6-1-5(2-7,3-8)4-9/h8-9H,1-4H2
- IUPAC Standard InChIKey: CHUGKEQJSLOLHL-UHFFFAOYSA-N
- CAS Registry Number: 3296-90-0
- 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: Dibromoneopentyl glycol; Dibromopentaerythritol; Pentaerythritol dibromide; Pentaerythritol dibromohydrin; 1,3-Dibromo-2,2-dimethylolpropane; 2,2-Bis(bromomethyl)-1,3-propanediol; 2,2-Dibromomethyl-1,3-propanediol; FR 1138; NCI-C55516; 1,3-Propanediol, 2,2-bis(2-bromomethyl)-; 2,2-Bis(2-bromomethyl)-1,3-propanediol; 1,3-Dibromo-2,2-dihydroxymethylpropane; FR 522; DBNPG; NSC 9001; 2,2-bis(bromomethyl)propane-1,3-diol
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Phase change data
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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: William E. Acree, Jr., James S. Chickos
Enthalpy of fusion
| ΔfusH (kcal/mol) | Temperature (K) | Reference |
|---|---|---|
| 7.19 | 387.3 | Dou, Fuess, et al., 1996 |
IR 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.
Data compiled by: Coblentz Society, Inc.
Condensed Phase Spectrum
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Notice: Except where noted, spectra from this collection were measured on dispersive instruments, often in carefully selected solvents, and hence may differ in detail from measurements on FTIR instruments or in other chemical environments. More information on the manner in which spectra in this collection were collected can be found here.
Notice: Concentration information is not available for this spectrum and, therefore, molar absorptivity values cannot be derived.
Additional Data
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| Owner | COBLENTZ SOC. Collection (C) 2018 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
|---|---|
| Origin | DOW CHEMICAL COMPANY |
| Source reference | COBLENTZ NO. 9162 |
| Date | 1964/01/03 |
| Name(s) | 2,2-bis(bromomethyl)-1,3-propanediol |
| State | SOLID (SPLIT MULL), FLUOROLUBE FOR 3800-1330 CM-1, NUJOL FOR 1330-460 CM-1 SPECTRAL FEATURE AT 1993 CM-1 IS PROBABLY AN ARTIFACT CAUSED BY GRATING CHANGE |
| Instrument | DOW KBr FOREPRISM-GRATING |
| Instrument parameters | BLAZED AT 3.5, 12.0, 20.0 MICRON AND CHANGED AT 5.0, 7.5, 14.9 MICRON |
| Resolution | 2 |
| Sampling procedure | TRANSMISSION |
| Data processing | DIGITIZED BY COBLENTZ SOCIETY (BATCH I) FROM HARD COPY |
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-8180 |
| NIST MS number | 236768 |
References
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Dou, Fuess, et al., 1996
Dou, S.-Q.; Fuess, H.; Strau, R.; Weiss, A.,
On the structure of some pentaerythritol-related molecular crystals with pseudotetrahedral molecular structure. Ordered structure of 2,2-bis (bromomethyl)-1,3-propanediol and orientationally disordered structure of 2-chloromethyl-2-methyl-1,3-dichloropropane; Cl-35 NQR,
Z. Naturforsch., A: Phys. Sci., 1996, 51, 5-6, 777. [all data]
Notes
Go To: Top, Phase change data, IR Spectrum, Mass spectrum (electron ionization), References
- Symbols used in this document:
ΔfusH Enthalpy of fusion - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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