ChemSpider 2D Image | 2-Bromobenzaldehyde | C7H5BrO

2-Bromobenzaldehyde

  • Molecular FormulaC7H5BrO
  • Average mass185.018 Da
  • Monoisotopic mass183.952377 Da
  • ChemSpider ID21111817

More details:

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

229-622-2 [EINECS]
2-Brombenzaldehyd [German] [ACD/IUPAC Name]
2-Bromobenzaldehyde [ACD/IUPAC Name]
2-Bromobenzaldéhyde [French] [ACD/IUPAC Name]
2-Formylbromobenzene
6630-33-7 [RN]
Benzaldehyde, 2-bromo- [ACD/Index Name]
VHR BE [WLN]
[6630-33-7] [RN]
95%
More...

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

636132 [Beilstein] [DBID]
MFCD00003300 [DBID]
16280_FLUKA [DBID]
B57001_ALDRICH [DBID]
PubChem Substance ID 24891849 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Safety:

      22-36/38 Alfa Aesar A15065
      23-26-36/37-60 Alfa Aesar A15065
      26-36/37 Alfa Aesar A15065
      H302-H315-H319 Alfa Aesar A15065
      P280h-P305+P351+P338 Alfa Aesar A15065
      Warning Alfa Aesar A15065
      WARNING: Irritates lungs, eyes, skin Alfa Aesar A15065
      WARNING: Irritates skin and eyes, harmful if swallowed Alfa Aesar A15065
  • Gas Chromatography

    • Retention Index (Kovats):

      1302 (estimated with error: 89) NIST Spectra mainlib_71104, replib_228429
      1204.7 (Program type: Isothermal; Col... (show more) umn class: Standard non-polar; Column length: 5 m; Column type: Packed; Start T: 140 C; CAS no: 6630337; Active phase: OV-101; Carrier gas: N2; Substrate: Chromosorb G HP; Data type: Kovats RI; Authors: Righezza, M.; Hassani, A.; Meklati, B.Y.; Chretien, J.R., Quantitative structure-retention relationships (QSRR) of congeneric aromatics series studied on phenyl OV phases in gas chromatography, J. Chromatogr. A, 723, 1996, 77-91.) NIST Spectra nist ri
      1211.6 (Program type: Isothermal; Col... (show more) umn class: Standard non-polar; Column length: 5 m; Column type: Packed; Start T: 160 C; CAS no: 6630337; Active phase: OV-101; Carrier gas: N2; Substrate: Chromosorb G HP; Data type: Kovats RI; Authors: Hassani, A.; Meklati, B.Y., Gas chromatographic behaviour of monosubstituted benzenes, benzaldehydes and acetophenones on OV polymethylphenyl-silicone stationary phases, Chromatographia, 33(5/6), 1992, 267-271.) NIST Spectra nist ri

    • Retention Index (Normal Alkane):

      1187 (Program type: Ramp; Column cl... (show more) ass: Standard non-polar; Column type: Capillary; CAS no: 6630337; Active phase: OV-101; Data type: Normal alkane RI; Authors: Ebrahimi, P.; Hadjmohammadi, M.R., Simultaneous modeling of the Kovats retention indices on phenyl OV stationary phases with different polarity using MLR and ANN, QSAR Comb. Sci., , 2006, 836-845.) NIST Spectra nist ri
      1838 (Program type: Ramp; Column cl... (show more) ass: Standard polar; Column length: 3.05 m; Column type: Packed; CAS no: 6630337; Active phase: Carbowax 20M; Substrate: Supelcoport; Data type: Normal alkane RI; Authors: Peng, C.T.; Yang, Z.C.; Ding, S.F., Prediction of rentention idexes. II. Structure-retention index relationship on polar columns, J. Chromatogr., 586, 1991, 85-112.) NIST Spectra nist ri

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

Density: 1.6±0.1 g/cm3
Boiling Point: 230.8±13.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.5 mmHg at 25°C
Enthalpy of Vaporization: 46.7±3.0 kJ/mol
Flash Point: 95.0±0.0 °C
Index of Refraction: 1.611
Molar Refractivity: 40.7±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.45
ACD/LogD (pH 5.5): 2.29
ACD/BCF (pH 5.5): 32.62
ACD/KOC (pH 5.5): 421.67
ACD/LogD (pH 7.4): 2.29
ACD/BCF (pH 7.4): 32.62
ACD/KOC (pH 7.4): 421.67
Polar Surface Area: 17 Å2
Polarizability: 16.1±0.5 10-24cm3
Surface Tension: 44.4±3.0 dyne/cm
Molar Volume: 117.3±3.0 cm3

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