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1-Bromooctane

Catalog Number
ACM111831-1
CAS Number
111-83-1
Product Name
1-Bromooctane
Category
Solubility Enhancing Reagents
IUPAC Name
1-bromooctane
Molecular Weight
193.12g/mol
Molecular Formula
C8H17Br
Canonical SMILES
CCCCCCCCBr
InChI
InChI=1S/C8H17Br/c1-2-3-4-5-6-7-8-9/h2-8H2,1H3
InChI Key
VMKOFRJSULQZRM-UHFFFAOYSA-N
Boiling Point
200.0 °C
Melting Point
-55.0 °C
Solubility
8.65e-06 M
Application
1-Bromooctane is a versatile organic compound that primarily serves as a key intermediate in organic synthesis. This clear, colorless to yellow-brown liquid is insoluble in water but mixes readily with ethanol and ether, making it useful in various chemical processes. It is instrumental as an extraction solvent for analyzing volatile organic compounds in water samples, ensuring precise and accurate measurement. Additionally, 1-Bromooctane plays a critical role in the preparation of quaternary ammonium chloride-modified poly(propylenimine) dendrimers, highlighting its significance in advanced chemical applications.
Complexity
43.8
Covalently-Bonded Unit Count
1
EC Number
203-912-9
Exact Mass
192.05136g/mol
Formal Charge
0
Hazard Statements
H302
Heavy Atom Count
9
Log P
4.89 (LogP)
Monoisotopic Mass
192.05136g/mol
NSC Number
9821
Rotatable Bond Count
6
UNII
Q382HPC6LC
Vapor Pressure
0.38 mmHg
XLogP3
4.9
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