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About This Item
Linear Formula:
ClC6H3(F)OCH3
CAS Number:
Molecular Weight:
160.57
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
Recommended Products
Assay
97%
refractive index
n20/D 1.511 (lit.)
bp
189 °C (lit.)
density
1.265 g/mL at 25 °C (lit.)
SMILES string
COc1cc(F)cc(Cl)c1
InChI
1S/C7H6ClFO/c1-10-7-3-5(8)2-6(9)4-7/h2-4H,1H3
InChI key
XPZBNEWAZPZUHF-UHFFFAOYSA-N
General description
3-Chloro-5-fluoroanisole is also referred to as 1-chloro-3-fluoro-5-methoxybenzene (IUPAC name). Two rotational isomeric forms, i.e. cis and trans forms of 3-chloro-5-fluoroanisole (1-chloro-3-fluoro-5-methoxybenzene) have been identified by ab initio and density functional theory (DFT) calculations.
Signal Word
Warning
Hazard Statements
Precautionary Statements
Hazard Classifications
Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
Target Organs
Respiratory system
Storage Class Code
10 - Combustible liquids
WGK
WGK 3
Flash Point(F)
174.9 °F - closed cup
Flash Point(C)
79.4 °C - closed cup
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
Certificates of Analysis (COA)
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Rotamers and isotopomers of 3-chloro-5-fluoroanisole studied by resonant two-photon ionization spectroscopy and theoretical calculations.
Zhang, Lijuan, et al.
Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy, 104, 235-242 (2013)
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