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4-(Trifluoromethoxy)phenyl isocyanate

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Name

4-(Trifluoromethoxy)phenyl isocyanate

EINECS 252-328-0
CAS No. 35037-73-1 Density 1.3 g/cm3
PSA 38.66000 LogP 2.55250
Solubility Reacts with water. Melting Point -29 °C
Formula C8H4F3NO2 Boiling Point 181.8 °C at 760 mmHg
Molecular Weight 203.12 Flash Point 70 °C
Transport Information UN 2206 6.1/PG 3 Appearance clear colorless to slightly yellow liquid
Safety 26-36-36/37-22 Risk Codes 20/21/22-36/37/38-42
Molecular Structure Molecular Structure of 35037-73-1 (4-(Trifluoromethoxy)phenyl isocyanate) Hazard Symbols HarmfulXn,IrritantXi
Synonyms

1-Isocyanato-4-trifluoromethoxy-benzene;1-isocyanato-4-(trifluoromethoxy)benzene;Benzene, 1-isocyanato-4-(trifluoromethoxy)-;

Article Data 19

4-(Trifluoromethoxy)phenyl isocyanate Chemical Properties

IUPAC Name: 1-isocyanato-4-(trifluoromethoxy)benzene 
Empirical Formula: C8H4F3NO2
Molecular Weight: 203.1181g/mol
EINECS: 252-328-0 
Structure of 4-(Trifluoromethoxy) phenyl isocyanate (CAS NO.35037-73-1):

Index of Refraction: 1.456
Molar Refractivity: 42.3 cm3
Molar Volume: 155.4 cm3
Polarizability: 16.76×10-24cm3
Surface Tension: 31.5 dyne/cm
Density: 1.3 g/cm3
Flash Point: 70 °C
Enthalpy of Vaporization: 41.8 kJ/mol 
Melting Point: -29°C
Boiling Point: 181.8 °C at 760 mmHg
Vapour Pressure: 0.839 mmHg at 25°C 
Storage temp: Refrigerator (+4°C)
Sensitive: Moisture Sensitive 
Product Categories: Fluorobenzene;Boron, Nitrile, Thio,& TM-Cpds;Phenyl isocyanate&Phenyl isothiocyanate;Isocyanates;Nitrogen Compounds;Organic Building Blocks 
Canonical SMILES: C1=CC(=CC=C1N=C=O)OC(F)(F)F
InChI: InChI=1S/C8H4F3NO2/c9-8(10,11)14-7-3-1-6(2-4-7)12-5-13/h1-4H
InChIKey: LGPKFIGMLPDYEA-UHFFFAOYSA-N

4-(Trifluoromethoxy)phenyl isocyanate Uses

 4-(Trifluoromethoxy) phenyl isocyanate (35037-73-1) is used as a synthetic intermediate for medicine or pesticide.

4-(Trifluoromethoxy)phenyl isocyanate Safety Profile

Hazard Codes: HarmfulXn,IrritantXi
Risk Statements: 20/21/22-36/37/38-42 
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed. 
R36/37/38:Irritating to eyes, respiratory system and skin. 
R42:May cause sensitization by inhalation.
Safety Statements: 26-36-36/37-22
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36:Wear suitable protective clothing. 
S36/37:Wear suitable protective clothing and gloves. 
S22:Do not breathe dust.
RIDADR: UN 2206 6.1/PG 3
WGK Germany: 3
F: 21
Hazard Note: Irritant
HazardClass: 6.1
PackingGroup: III

4-(Trifluoromethoxy)phenyl isocyanate Specification

  4-(Trifluoromethoxy)Phenyl Isocyanate , its cas register number is 35037-73-1. It also can be called 1-isocyanato-4-(trifluoromethoxy)-benzen ; 4-(trifluoromethoxy)phnyl isocyanate;4-(Trifluoromethoxy)phenyl isocyanate 98% ; 4-(Trifluoromethoxy)phenyl isocyanate 99%+ ; Benzene, 1-isocyanato-4-(trifluoromethoxy)- ; p-(Trifluoromethoxy)phenyl isocyanate . 4-(Trifluoromethoxy) phenyl isocyanate (CAS NO.35037-73-1) is a clear colorless to slightly yellow liquid.

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