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| CAS No.: | 3355-31-5 |
|---|---|
| Name: | 1-PHENYL-3-CHLORO-1-PROPYNE |
| Article Data: | 12 |
| Molecular Structure: | |
|
|
|
| Formula: | C9H7Cl |
| Molecular Weight: | 150.608 |
| 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; |
| Density: | 1.123 g/cm3 |
| Boiling Point: | 221.04 °C at 760 mmHg |
| Flash Point: | 82.851 °C |
| Hazard Symbols: |
 Xn
|
| Risk Codes: | 22-36/37/38 |
| Safety: | 26-36 |
| PSA: | 0.00000 |
| LogP: | 2.27690 |
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Chemistry
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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
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.
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)- .