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Molecular structure of 3-[4-(Trifluoromethoxy)phenyl]acrylic acid (CAS NO.783-13-1) is:
Product Name: 3-[4-(Trifluoromethoxy)phenyl]acrylic acid
CAS Registry Number: 783-13-1
IUPAC Name: (E)-3-[4-(trifluoromethoxy)phenyl]prop-2-enoic acid
Molecular Weight: 232.15599 [g/mol]
Molecular Formula: C10H7F3O3
XLogP3: 3
H-Bond Donor: 1
H-Bond Acceptor: 6
Melting Point: 178 °C
Index of Refraction: 1.526
Molar Refractivity: 50.84 cm3
Molar Volume: 165.4 cm3
Surface Tension: 38.5 dyne/cm
Density: 1.403 g/cm3
Flash Point: 133.2 °C
Enthalpy of Vaporization: 56.64 kJ/mol
Boiling Point: 296.6 °C at 760 mmHg
Vapour Pressure: 0.000641 mmHg at 25 °C
Product Categories: Aromatic Cinnamic Acids, Esters and Derivatives
Canonical SMILES: C1=CC(=CC=C1C=CC(=O)O)OC(F)(F)F
Isomeric SMILES: C1=CC(=CC=C1/C=C/C(=O)O)OC(F)(F)F
InChI: InChI=1S/C10H7F3O3/c11-10(12,13)16-8-4-1-7(2-5-8)3-6-9(14)15/h1-6H,(H,14,15)/b6-3+
InChIKey: RNYVTJANWYBGPW-ZZXKWVIFSA-N
Safty information about 3-[4-(Trifluoromethoxy)phenyl]acrylic acid (CAS NO.783-13-1) is:
Hazard Codes: Xi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36/37/39-22
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.
S22:Do not breathe dust.
Hazard Note: Irritant
3-[4-(Trifluoromethoxy)phenyl]acrylic acid , its cas register number is 783-13-1. It also can be called 4-(Trifluoromethoxy)cinnamic acid .