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CAS No.: | 18166-64-8 | ||
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Name: | 4-Chlorocinnamamide | ||
Article Data: | 19 | ||
Molecular Structure: | |||
Formula: | C9H8 Cl N O | ||
Molecular Weight: | 181.622 | ||
Synonyms: | Cinnamamide,p-chloro- (7CI,8CI); 4-Chlorocinnamamide; p-Chlorocinnamamide | ||
Density: | 1.268g/cm3 | ||
Melting Point: | 211-214°C | ||
Boiling Point: | 390.2°Cat760mmHg | ||
Flash Point: | 189.8°C | ||
Safety: |
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PSA: | 43.09000 | ||
LogP: | 2.53880 |
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Molecule structure of 4-Chlorocinnamamide (CAS NO.18166-64-8):
IUPAC Name: (E)-3-(4-Chlorophenyl)prop-2-enamide
Molecular Weight: 181.61892 [g/mol]
Molecular Formula: C9H8ClNO
Index of Refraction: 1.624
Molar Refractivity: 50.6 cm3
Molar Volume: 143.1 cm3
Polarizability: 20.06×10-24 cm3
Surface Tension: 49.7 dyne/cm
Density: 1.268 g/cm3
Melting Point: 211-214°C
Flash Point: 189.8 °C
Enthalpy of Vaporization: 63.96 kJ/mol
Boiling Point: 390.2 °C at 760 mmHg
Vapour Pressure: 2.7E-06 mmHg at 25 °C
XLogP3: 1.8
H-Bond Donor: 1
H-Bond Acceptor: 1
Rotatable Bond Count: 2
Tautomer Count: 2
Exact Mass: 181.029442
MonoIsotopic Mass: 181.029442
Topological Polar Surface Area: 43.1
Heavy Atom Count: 12
Complexity: 183
Canonical SMILES: C1=CC(=CC=C1C=CC(=O)N)Cl
Isomeric SMILES: C1=CC(=CC=C1/C=C/C(=O)N)Cl
InChI: InChI=1S/C9H8ClNO/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6H,(H2,11,12)/b6-3+
InChIKey: PWXPFYVNYKVJBW-ZZXKWVIFSA-N
EINECS: -0
Product Categories of 4-Chlorocinnamamide (CAS NO.18166-64-8): Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts
Safety Statements: 22-24/25
S22:Do not breathe dust.
S24/25:Avoid contact with skin and eyes.
4-Chlorocinnamamide (CAS NO.18166-64-8) is also called p-Chlorocinnamamide ; (E)-3-(4-Chlorophenyl)acrylamide ; Cinnamamide,p-chloro- (7CI,8CI) ; 2-Propenamide,3-(4-chlorophenyl)- ; (2E)-3-(4-chlorophenyl)prop-2-enamide .