ChemSpider 2D Image | 1,2-Dibromobutane | C4H8Br2

1,2-Dibromobutane

  • Molecular FormulaC4H8Br2
  • Average mass215.914 Da
  • Monoisotopic mass213.899261 Da
  • ChemSpider ID21171408

More details:

Featured data source
The Merck Index Online

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1,2-Dibrombutan [German] [ACD/IUPAC Name]
1,2-Dibromobutane [ACD/IUPAC Name]
1,2-Dibromobutane [French] [ACD/IUPAC Name]
1,2-DIBROMOBUTANE, (-)-
208-581-4 [EINECS]
533-98-2 [RN]
Butane, 1,2-dibromo- [ACD/Index Name]
"1,2-DIBROMOBUTANE"|"1,2-DIBROMOBUTANE"
(2S)-1,2-Dibromobutane [ACD/IUPAC Name]
1,2-BUTYLENE BROMIDE
More...

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

8471F50VJI [DBID]
MFCD00000157 [DBID]
UNII:8471F50VJI [DBID]
[533-98-2] [DBID] [RN]
252328_ALDRICH [DBID]
A4D2DMX3G8 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Safety:

      20/21/22-36/37/38 Alfa Aesar B20356
      9-26-36/37 Alfa Aesar B20356
      CAUTION: May irritate eyes, skin, and respiratory tract Alfa Aesar B20356
      H302-H312-H332-H315-H319-H335 Alfa Aesar B20356
      P261-P280-P305+P351+P338-P304+P340-P405-P501a Alfa Aesar B20356
      Warning Alfa Aesar B20356
      WARNING:Harmful by skin absorption/ingestion, irritates skin Alfa Aesar B20356
  • Gas Chromatography

    • Retention Index (Kovats):

      947 (estimated with error: 62) NIST Spectra mainlib_227722, replib_114615
      943 (Program type: Isothermal; Col... (show more) umn class: Semi-standard non-polar; Column diameter: 0.25 mm; Column length: 100 m; Column type: Capillary; Start T: 115 C; CAS no: 533982; Active phase: Squalane; Data type: Kovats RI; Authors: Lafosse, M.; Thuaud-Chourrout, N., Etude du comportement de composes halogenes et methoxyles en CG dans le cas de quatre phases stationnaires liquides pouvant former des liaisons de type donneur-accepteur d'electrons avec les groupes fonctionnels de ces composes, Chromatographia, 8(4), 1975, 195-202.) NIST Spectra nist ri

    • Retention Index (Normal Alkane):

      944 (Program type: Ramp; Column cl... (show more) ass: Standard non-polar; Column diameter: 0.20 mm; Column length: 50 m; Column type: Capillary; Heat rate: 3.5 K/min; Start T: 35 C; End T: 230 C; End time: 10 min; Start time: 8 min; CAS no: 533982; Active phase: HP-PONA; Phase thickness: 0.50 um; Data type: Normal alkane RI; Authors: Liu, Y.; Yang, H., Detailed alkene determination by bromination and gas chromatography with atomic emission detection. I. identification of the bromoalkenes/bromoalkanes in brominated gasoline, Se Pu - Chinese Journal of Chromatography, 21(1), 2003, 1-8.) NIST Spectra nist ri
      946 (Program type: Ramp; Column cl... (show more) ass: Standard non-polar; Column type: Capillary; CAS no: 533982; Active phase: Methyl Silicone; Data type: Normal alkane RI; Authors: Zenkevich, I.G.; Marinichev, A.N., Comparison of Topological and Dynamics Molecular Characteristics for Precalculation of Chromatographic Retention Parameters of Organic Compounds (in Russian), Zh. Struct. Khim., 42(5), 2001, 893-902, In original 893-902.) NIST Spectra nist ri
      946.2 (Program type: Ramp; Column cl... (show more) ass: Standard non-polar; Column diameter: 0.2 mm; Column length: 50 m; Column type: Capillary; Heat rate: 2 K/min; Start T: 20 C; End T: 200 C; Start time: 5 min; CAS no: 533982; Active phase: Methyl Silicone; Carrier gas: N2; Data type: Normal alkane RI; Authors: Yasuhara, A.; Morita, M.; Fuwa, K., Temperature-programmed retention indices of 221 halogenated organic compounds with 1-bromoalkanes as references, J. Chromatogr., 328, 1985, 35-48.) NIST Spectra nist ri
      960 (Program type: Isothermal; Col... (show more) umn class: Semi-standard non-polar; Column type: Capillary; Start T: 130 C; CAS no: 533982; Active phase: Apiezon L; Data type: Normal alkane RI; Authors: Arruda, A.C.S.; Junkes, B. da.S.; Souza, E.S.; Yunes, R.A.; Heizen, V.E.F., Semi-Emlirical Topological Index to Predict Properties of Halogenated Aliphatic Compounds, J. Chemometrics, 22(3-4), 2008, 186-194.) NIST Spectra nist ri

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.8±0.1 g/cm3
Boiling Point: 165.0±8.0 °C at 760 mmHg
Vapour Pressure: 2.5±0.3 mmHg at 25°C
Enthalpy of Vaporization: 38.5±3.0 kJ/mol
Flash Point: 44.0±17.7 °C
Index of Refraction: 1.505
Molar Refractivity: 36.0±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.96
ACD/LogD (pH 5.5): 2.82
ACD/BCF (pH 5.5): 81.83
ACD/KOC (pH 5.5): 814.49
ACD/LogD (pH 7.4): 2.82
ACD/BCF (pH 7.4): 81.83
ACD/KOC (pH 7.4): 814.49
Polar Surface Area: 0 Å2
Polarizability: 14.3±0.5 10-24cm3
Surface Tension: 34.0±3.0 dyne/cm
Molar Volume: 121.3±3.0 cm3

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