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CAS No.: | 658-78-6 |
---|---|
Name: | 4-NITROPHENYL TRIFLUOROACETATE |
Article Data: | 11 |
Molecular Structure: | |
Formula: | C8H4F3NO4 |
Molecular Weight: | 235.119 |
Synonyms: | Aceticacid, trifluoro-, 4-nitrophenyl ester (9CI);Acetic acid, trifluoro-,p-nitrophenyl ester (6CI,7CI,8CI);4-Nitrophenyl trifluoroacetate;NSC 93909;Trifluoroacetic acid p-nitrophenyl ester;p-Nitrophenyl trifluoroacetate; |
EINECS: | 211-524-6 |
Density: | 1.514 g/cm3 |
Melting Point: | 35-39 °C(lit.) |
Boiling Point: | 246 °C at 760 mmHg |
Flash Point: | 97.2 °C |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26 |
PSA: | 72.12000 |
LogP: | 2.58570 |
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IUPAC Name: (4-nitrophenyl) 2,2,2-trifluoroacetate
Molecular Formula: C8H4F3NO4
Molecular Weight: 235.12 g/mol
Canonical SMILES: O=C(Oc1ccc([N+]([O-])=O)cc1)C(F)(F)F
InChI: InChI=1/C8H4F3NO4/c9-8(10,11)7(13)16-6-3-1-5(2-4-6)12(14)15/h1-4H
Mol File: 658-78-6.mol
EINECS: 211-524-6
Product Categories: Condensation & Active Esterification; Synthetic Organic Chemistry; Active Esters/Additives; Active Esters/AdditivesSynthetic Reagents; Coupling; Peptide Synthesis
H bond acceptors: 5
H bond donors: 0
Freely Rotating Bonds: 3
Polar Surface Area: 72.12
Index of Refraction: 1.486
Molar Refractivity: 44.59 cm3
Molar Volume: 155.2 cm3
Polarizability: 17.67×10-24cm3
Surface Tension: 38.9 dyne/cm
Density: 1.514 g/cm3
Flash Point: 97.2 °C
Enthalpy of Vaporization: 48.31 kJ/mol
Boiling Point: 246 °C at 760 mmHg
Melting Point: 35-39 °C(lit.)
storage temperature: 2-8 °C
Vapour Pressure of 4-Nitrophenyl trifluoroacetate (CAS NO.658-78-6): 0.0278 mmHg at 25 °C
Hazard Codes: Xi
Risk Statements: 36/37/38-22
R36/37/38: Irritating to eyes, respiratory system and skin.
R22: Harmful if swallowed.
Safety Statements: 26 -36/37/39
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.
RIDADR: 2811
WGK Germany: 3
Hazard Note: Harmful/Irritant/Keep Cold
HazardClass: 8
PackingGroup of 4-Nitrophenyl trifluoroacetate (CAS NO.658-78-6): III
4-Nitrophenyl trifluoroacetate (CAS NO.658-78-6), its Synonyms are Acetic acid, 2,2,2-trifluoro-, 4-nitrophenyl ester ; Acetic acid, trifluoro-, 4-nitrophenyl ester ; Trifluoroacetic acid p-nitrophenyl ester ; p-Nitrophenyl trifluoroacetate ; Acetic acid, trifluoro-, p-nitrophenyl ester . 4-Nitrophenyl trifluoroacetate (CAS NO.658-78-6) is used as Organic fluorine intermediates.