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Cas Database |
| Name |
1-Phenyl-3-chloro-1-propyn |
EINECS | N/A |
| CAS No. | 3355-31-5 | Density | 1.123 g/cm3 |
| PSA | 0.00000 | LogP | 2.27690 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C9H7Cl | Boiling Point | 221.04 °C at 760 mmHg |
| Molecular Weight | 150.608 | Flash Point | 82.851 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | 26-36 | Risk Codes | 22-36/37/38 |
| Molecular Structure |
|
Hazard Symbols |
 Xn
|
| Synonyms |
Propyne, 3-chloro-1-phenyl- (6CI,7CI);(3-Chloro-1-propyn-1-yl)benzene;1-Chloro-3-phenyl-2-propyne;3-Chloro-1-phenyl-1-propyne;3-Phenylpropargylchloride;Chloromethyl(phenyl)acetylene;NSC 147127;Phenylpropargyl chloride; |
Article Data | 12 |
1-Phenyl-3-chloro-1-propyn Chemical Properties
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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
1-Phenyl-3-chloro-1-propyn Safety Profile
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 Specification
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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