4-Fluoro-3-methylphenyl carbonochloridate
CAS No.:
1001095-14-2
M. Wt:
188.583
M. Fa:
C8H6ClFO2
InChI Key:
XFECTXXCJBOFJE-UHFFFAOYSA-N
Names and Identifiers of 1001095-14-2
CAS Number |
1001095-14-2 |
|---|---|
IUPAC Name |
(4-fluoro-3-methylphenyl) carbonochloridate |
InChI |
InChI=1S/C8H6ClFO2/c1-5-4-6(12-8(9)11)2-3-7(5)10/h2-4H,1H3 |
InChIKey |
XFECTXXCJBOFJE-UHFFFAOYSA-N |
Canonical SMILES |
CC1=C(C=CC(=C1)OC(=O)Cl)F |
Physical and chemical properties of 1001095-14-2
Boiling Point |
216.4±33.0 °C at 760 mmHg |
|---|---|
Density |
1.3±0.1 g/cm3 |
Exact Mass |
188.004028 |
Flash Point |
88.6±14.5 °C |
Index of Refraction |
1.510 |
LogP |
3.41 |
Molecular Formula |
C8H6ClFO2 |
Molecular Weight |
188.583 |
PSA |
26.30000 |
Vapour Pressure |
0.1±0.4 mmHg at 25°C |
Applications of 1001095-14-2
4-Fluoro-3-methylphenyl carbonochloridate has various applications in:
- Pharmaceutical Industry: It serves as an intermediate in the synthesis of active pharmaceutical ingredients (APIs).
- Agrochemical Production: Used in developing herbicides and pesticides due to its reactivity.
- Chemical Research: Employed in laboratories for research purposes, particularly in studies involving nucleophilic substitution reactions.
Interaction Studies of 1001095-14-2
Interaction studies involving 4-fluoro-3-methylphenyl carbonochloridate focus on its reactivity with nucleophiles and other chemical species. These studies help understand its behavior in biological systems and its potential environmental impact.
Such interactions can include:
- Reactivity with Amines: Forming amides or substituted phenols.
- Interactions with Biological Molecules: Investigating how it may affect enzyme activity or cellular processes if introduced into biological systems.
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