Molecular structure of 2,3,4-Trifluorocinnamic acid (CAS NO.207742-85-6) is:
Product Name: 2,3,4-Trifluorocinnamic acid
CAS Registry Number: 207742-85-6
IUPAC Name: (E)-3-(2,3,4-trifluorophenyl)prop-2-enoic acid
Molecular Weight: 202.13001 [g/mol]
Molecular Formula: C9H5F3O2
XLogP3-AA: 2.2
H-Bond Donor: 1
H-Bond Acceptor: 5
Melting Point: 175-178 °C(lit.)
Index of Refraction: 1.547
Molar Refractivity: 43.68 cm3
Molar Volume: 137.6 cm3
Surface Tension: 43.4 dyne/cm
Density: 1.468 g/cm3
Flash Point: 119.4 °C
Enthalpy of Vaporization: 54.1 kJ/mol
Boiling Point: 273.8 °C at 760 mmHg
Vapour Pressure: 0.00273 mmHg at 25 °C
Product Categories: Cinnamic acid
Canonical SMILES: C1=CC(=C(C(=C1C=CC(=O)O)F)F)F
Isomeric SMILES: C1=CC(=C(C(=C1/C=C/C(=O)O)F)F)F
InChI: InChI=1S/C9H5F3O2/c10-6-3-1-5(2-4-7(13)14)8(11)9(6)12/h1-4H,(H,13,14)/b4-2+
InChIKey: AYDLBRHSHLRVAH-DUXPYHPUSA-N
Safty information about 2,3,4-Trifluorocinnamic acid (CAS NO.207742-85-6) is:
Hazard Codes: Xi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-37/39
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S37/39:Wear suitable gloves and eye/face protection.
WGK Germany: 3
HazardClass: IRRITANT
2,3,4-Trifluorocinnamic acid , its cas register number is 207742-85-6. It also can be called 2-Propenoic acid,3-(2,3,4-trifluorophenyl)- .
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