| Identification | More | [Name]
1-Bromoheptane | [CAS]
629-04-9 | [Synonyms]
1-BROMOHEPTANE
HEPTYL BROMIDE
N-HEPTYL BROMIDE
1-Bromheptan
1-bromo-heptan
1-Heptylbromide
bromo heptane
heptane,1-bromo-
Heptylbromid
1-Bromoheptane,98+%
1-BROMOHEPTANE pure | [EINECS(EC#)]
211-068-8 | [Molecular Formula]
C7H15Br | [MDL Number]
MFCD00000273 | [Molecular Weight]
179.1 | [MOL File]
629-04-9.mol |
| Chemical Properties | Back Directory | [Appearance]
Colorless liquid | [Melting point ]
−58 °C(lit.)
| [Boiling point ]
180 °C(lit.)
| [density ]
1.14 g/mL at 25 °C(lit.)
| [vapor density ]
6.18 (vs air)
| [refractive index ]
n20/D 1.4499(lit.)
| [Fp ]
141 °F
| [storage temp. ]
Store at RT. | [solubility ]
0.0066g/l | [form ]
Liquid | [color ]
Clear colorless to light yellow | [Stability:]
Stable. Flammable. Incompatible with oxidizing agents, strong bases. | [Water Solubility ]
insoluble | [BRN ]
1697160 | [Henry's Law Constant]
2.2×10-4 mol/(m3Pa) at 25℃, Brockbank (2013) | [Dielectric constant]
5.3（24℃） | [InChI]
1S/C7H15Br/c1-2-3-4-5-6-7-8/h2-7H2,1H3 | [InChIKey]
LSXKDWGTSHCFPP-UHFFFAOYSA-N | [SMILES]
CCCCCCCBr | [CAS DataBase Reference]
629-04-9(CAS DataBase Reference) | [NIST Chemistry Reference]
Heptane, 1-bromo-(629-04-9) | [EPA Substance Registry System]
629-04-9(EPA Substance) |
| Hazard Information | Back Directory | [Chemical Properties]
Colorless liquid | [Uses]
1-bromoheptane is an important precursor material and intermediate used in organic synthesis, pharmaceuticals and agrochemicals. | [Synthesis Reference(s)]
The Journal of Organic Chemistry, 34, p. 1172, 1969 DOI: 10.1021/jo01256a104
Tetrahedron, 39, p. 4097, 1983 DOI: 10.1016/S0040-4020(01)88628-2 | [Synthesis]
1-Bromopentane can be produced by the reaction of 1-heptanol with hydrobromic acid or by the bromination of n-heptane. | [Purification Methods]
Shake it with conc H2SO4, wash with water, dry it with K2CO3, and fractionally distil. [Beilstein 1 IV 391.] |
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