- 2-(Trifluoromethoxy)phenyl isocyanate
- 2-(Trifluoromethoxy)phenylacetic acid
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| Name |
2-(Trifluoromethoxy)phenyl isocyanate |
EINECS | N/A |
| CAS No. | 182500-26-1 | Density | 1.3 g/cm3 |
| PSA | 38.66000 | LogP | 2.55250 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C8H4F3NO2 | Boiling Point | 182.6 °C at 760 mmHg |
| Molecular Weight | 203.12 | Flash Point | 60 °C |
| Transport Information | UN 3080 6.1/PG 2 | Appearance | clear colourless liquid |
| Safety | 26-36/37/39-45 | Risk Codes | 25-37/38-41-36/37/38-20/21/22 |
| Molecular Structure |
|
Hazard Symbols |
 T,  F,  Xn
|
| Synonyms |
1-Isocyanato-2-(trifluoromethoxy)benzene;2-Trifluoromethoxyphenyl isocyanate; |
2-(Trifluoromethoxy)phenyl isocyanate Chemical Properties
Product Name: 2-(Trifluoromethoxy)phenyl isocyanate (CAS NO.182500-26-1)
Molecular Formula: C8H4F3NO2
Molecular Weight: 203.12g/mol
Mol File: 182500-26-1.mol
Appearance: clear colourless liquid
Boiling point: 182.6 °C at 760 mmHg
Storage Temperature: 0-6°C
Flash Point: 60 °C
Density: 1.3 g/cm3
Refractive index: n20/D 1.455(lit.)
Sensitive: Moisture Sensitive
Index of Refraction: 1.456
Molar Refractivity: 42.3 cm3
Molar Volume: 155.4 cm3
Surface Tension: 31.5 dyne/cm
Enthalpy of Vaporization: 41.89 kJ/mol
Vapour Pressure: 0.803 mmHg at 25°C
XLogP3-AA: 3.9
H-Bond Donor: 0
H-Bond Acceptor: 6
Structure Descriptors of 2-(Trifluoromethoxy)phenyl isocyanate (CAS NO.182500-26-1):
IUPAC Name: 1-isocyanato-2-(trifluoromethoxy)benzene
Canonical SMILES: C1=CC=C(C(=C1)N=C=O)OC(F)(F)F
InChI: InChI=1S/C8H4F3NO2/c9-8(10,11)14-7-4-2-1-3-6(7)12-5-13/h1-4H
InChIKey: CTMGYQHKKIEXKF-UHFFFAOYSA-N
Product Categories: ISOCYANATE; Phenyl isocyanate&Phenyl isothiocyanate; Isocyanates; Nitrogen Compounds; Organic Building Blocks
2-(Trifluoromethoxy)phenyl isocyanate Safety Profile
Safety Information of 2-(Trifluoromethoxy)phenyl isocyanate (CAS NO.182500-26-1):
Hazard Codes: T
,F
,Xn
Risk Statements: 25-37/38-41-36/37/38-20/21/22
R25 :Toxic if swallowed.
R37/38:Irritating to respiratory system and skin.
R41:Risk of serious damage to the eyes.
R36/37/38:Irritating to eyes, respiratory system and skin.
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.
Safety Statements: 26-36/37/39-45
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
RIDADR: UN 3080 6.1/PG 2
WGK Germany: 3
Hazard Note: Irritant
2-(Trifluoromethoxy)phenyl isocyanate Specification
2-(Trifluoromethoxy)phenyl isocyanate , its CAS NO. is 182500-26-1, the synonym is 1-Isocyanato-2-(trifluoromethoxy)benzene .
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