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About This Item
Linear Formula:
FC6H4NCO
CAS Number:
Molecular Weight:
137.11
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
Recommended Products
Assay
97%
form
liquid
refractive index
n20/D 1.5144 (lit.)
density
1.222 g/mL at 25 °C (lit.)
functional group
fluoro
storage temp.
2-8°C
SMILES string
Fc1ccccc1N=C=O
InChI
1S/C7H4FNO/c8-6-3-1-2-4-7(6)9-5-10/h1-4H
InChI key
VZNCSZQPNIEEMN-UHFFFAOYSA-N
General description
2-Fluorophenyl isocyanate is the main component of essential oil from Rhododendron thymifolium Maxim. Molecular geometry of 2-fluorophenyl isocyanate has been investigated by microwave spectroscopy and nuclear magnetic resonance spectroscopy.
Signal Word
Danger
Hazard Statements
Precautionary Statements
Hazard Classifications
Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Eye Irrit. 2 - Flam. Liq. 3 - Resp. Sens. 1 - Skin Irrit. 2 - Skin Sens. 1 - STOT SE 3
Target Organs
Respiratory system
Storage Class Code
3 - Flammable liquids
WGK
WGK 3
Flash Point(F)
123.8 °F - closed cup
Flash Point(C)
51 °C - closed cup
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
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Microwave spectroscopy and nuclear magnetic resonance study of the molecular geometry of 2-fluorophenylisocyanate.
Masson MA, et al.
Journal of Molecular Structure, 68, 307-314 (1980)
Studies on the Essential Constituent of Rhododendron thymifolium Maxim.
Ji Z, et al.
Acta Horticulturae Sinica, 29(4), 386-388 (2002)
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