4-Bromoheptane
CAS No.:
998-93-6
M. Wt:
179.09800
M. Fa:
C7H15Br
InChI Key:
BNUTXEKPXPZAIT-UHFFFAOYSA-N
Appearance:
Colorless liquid
Names and Identifiers of 4-Bromoheptane
CAS Number |
998-93-6 |
|---|---|
EC Number |
213-653-3 |
MDL Number |
MFCD00039182 |
IUPAC Name |
4-bromoheptane |
InChI |
InChI=1S/C7H15Br/c1-3-5-7(8)6-4-2/h7H,3-6H2,1-2H3 |
InChIKey |
BNUTXEKPXPZAIT-UHFFFAOYSA-N |
Canonical SMILES |
CCCC(CCC)Br |
UNSPSC Code |
12352100 |
Physical and chemical properties of 4-Bromoheptane
Boiling Point |
168ºC at 760mmHg |
|---|---|
BRN |
1697144 |
Density |
1.14 |
Exact Mass |
178.03600 |
Flash Point |
48.4ºC |
H Bond Acceptors |
0 |
H Bond Donors |
0 |
Index of Refraction |
1.45 |
LogP |
3.35010 |
Melting Point |
-4.55°C (estimate) |
Molecular Formula |
C7H15Br |
Molecular Weight |
179.09800 |
Water Solubility |
Miscible with carbon tetrachloride, chloroform and benzene. Immiscible with water. |
Safety Information of 4-Bromoheptane
Applications of 4-Bromoheptane
4-Bromoheptane has several applications in organic synthesis:
- Intermediate in Synthesis: It serves as an important intermediate in the synthesis of various organic compounds, including pharmaceuticals and agrochemicals.
- Reagent in Organic Chemistry: It is used as a reagent in various organic reactions, particularly in nucleophilic substitution and elimination reactions.
- Research Tool: The compound is utilized in research settings to study reaction mechanisms involving alkyl halides.
Physical sample testing spectrum (NMR) of 4-Bromoheptane
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