Molecule structure of Methyl 4-chloro-3-methoxy-2-butenoate (CAS NO.110104-60-4):
IUPAC Name: Methyl (E)-4-chloro-3-methoxybut-2-enoate
Molecular Weight: 164.58686 g/mol
Molecular Formula: C6H9ClO3
Density: 1.157 g/cm3
Melting Point: 25 °C
Boiling Point: 230.9 °C at 760 mmHg
Flash Point: 99 °C
Index of Refraction: 1.448
Molar Refractivity: 38.11 cm3
Molar Volume: 142.2 cm3
Surface Tension: 31.5 dyne/cm
Enthalpy of Vaporization: 46.75 kJ/mol
Vapour Pressure: 0.0643 mmHg at 25 °C
XLogP3-AA: 0.7
H-Bond Acceptor: 3
Rotatable Bond Count: 4
Exact Mass: 164.024022
MonoIsotopic Mass: 164.024022
Topological Polar Surface Area: 35.5
Heavy Atom Count: 10
Canonical SMILES: COC(=CC(=O)OC)CCl
Isomeric SMILES: CO/C(=C/C(=O)OC)/CCl
InChI: InChI=1S/C6H9ClO3/c1-9-5(4-7)3-6(8)10-2/h3H,4H2,1-2H3/b5-3+
InChIKey: JNYMRXDQVPIONI-HWKANZROSA-N
Product Categories: API intermediates
Hazard Codes: C
Risk Statements: 34-22
R34:Causes burns.
R22:Harmful if swallowed.
Safety Statements: 45-36/37/39-26
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
RIDADR: 3261
Methyl 4-chloro-3-methoxy-2-butenoate (CAS NO.110104-60-4) is also named as Methyl (E)-4-chloro-3-methoxy-2-butenoate ; Methyl 4-chloro-3-methoxy-(E)-2-butenoate ; (E)-4-Chloro-3-methoxy-2-butenoic acid methyl ester ; 4-Chloro-3-methoxy-2(E)-butenoic acid methyl ester ; Methyl(E)-4-chloro-3-methoxy-2-butanoate ; (E)-4-methyl-3-methoxy-2-butenic acid ; Methyl 4-chloro-3-methoxy-2-(E)-butenoate, gc 98% . Methyl 4-chloro-3-methoxy-2-butenoate (CAS NO.110104-60-4) is clear yellow liquid after melting.
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