IUPAC Name: 3-Chloroprop-1-ynylbenzene
Molecular Formula: C9H7Cl
Molecular Weight: 150.60 g/mol
Canonical SMILES: C1=CC=C(C=C1)C#CCCl
InChI: InChI=1S/C9H7Cl/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,8H2
Mol File: 3355-31-5.mol
XLogP3-AA: 2.7
Rotatable Bond Count: 1
Exact Mass: 150.023628
MonoIsotopic Mass: 150.023628
Heavy Atom Count: 10
Complexity: 143
Index of Refraction: 1.561
Molar Refractivity: 43.48 cm3
Molar Volume: 134.1 cm3
Polarizability: 17.23×10-24cm3
Surface Tension: 41.2 dyne/cm
Density: 1.12 g/cm3
Flash Point: 82.9 °C
Enthalpy of Vaporization: 43.89 kJ/mol
Boiling Point: 221 °C at 760 mmHg
Vapour Pressure of 1-Phenyl-3-chloro-1-propyn (CAS NO.3355-31-5): 0.162 mmHg at 25 °C
Hazard Codes: Xn
Risk Statements: 22-36/37/38
R22: Harmful if swallowed.
R36/37/38: Irritating to eyes, respiratory system and skin.
Safety Statements of 1-Phenyl-3-chloro-1-propyn (CAS NO.3355-31-5): 26-36
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36: Wear suitable protective clothing.
1-Phenyl-3-chloro-1-propyn (CAS NO.3355-31-5), its Synonyms are 3-Chloro-1-phenyl-1-propyne ; 3-Phenylpropargyl chloride ; Benzene,(3-chloro-1-propynyl)- .
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