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| CAS No.: | 35037-73-1 |
|---|---|
| Name: | 4-(Trifluoromethoxy)phenyl isocyanate |
| Article Data: | 19 |
| Molecular Structure: | |
|
|
|
| Formula: | C8H4F3NO2 |
| Molecular Weight: | 203.12 |
| Synonyms: | 1-Isocyanato-4-trifluoromethoxy-benzene;1-isocyanato-4-(trifluoromethoxy)benzene;Benzene, 1-isocyanato-4-(trifluoromethoxy)-; |
| EINECS: | 252-328-0 |
| Density: | 1.3 g/cm3 |
| Melting Point: | -29 °C |
| Boiling Point: | 181.8 °C at 760 mmHg |
| Flash Point: | 70 °C |
| Solubility: | Reacts with water. |
| Appearance: | clear colorless to slightly yellow liquid |
| Hazard Symbols: |
 Xn, Xi
|
| Risk Codes: | 20/21/22-36/37/38-42 |
| Safety: | 26-36-36/37-22 |
| Transport Information: | UN 2206 6.1/PG 3 |
| PSA: | 38.66000 |
| LogP: | 2.55250 |
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Chemistry
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
Uses
4-(Trifluoromethoxy) phenyl isocyanate (35037-73-1) is used as a synthetic intermediate for medicine or pesticide.
Safety Profile
Hazard Codes: 
Xn,
Xi
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
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.