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Cas Database |
| Name |
1-Chloro-3-phenylpropane |
EINECS | 203-210-2 |
| CAS No. | 104-52-9 | Density | 1.029 g/cm3 |
| PSA | 0.00000 | LogP | 2.85800 |
| Solubility | slightly soluble in water | Melting Point |
-27 °C |
| Formula | C9H11Cl | Boiling Point | 220.2 °C at 760 mmHg |
| Molecular Weight | 154.639 | Flash Point | 87.2 °C |
| Transport Information | N/A | Appearance | clear colorless to light yellow liquid |
| Safety | 23-28-37 | Risk Codes | 38 |
| Molecular Structure |
|
Hazard Symbols |
 Xi
|
| Synonyms |
g-Chloropropylbenzene;g-Phenylpropyl chloride;NSC 16939;3-Chloro-1-phenylpropane;3-Phenyl-1-chloropropane;3-Phenylpropyl chloride;(3-Chloropropyl)benzene; |
Article Data | 82 |
1-Chloro-3-phenylpropane Synthetic route
| Conditions | Yield |
|---|---|
| Stage #1: 3-Phenyl-1-propanol With diisopropyl-carbodiimide; copper(l) chloride In tetrahydrofuran at 100℃; for 0.0833333h; microwave irradiation; Stage #2: With acetyl chloride In tetrahydrofuran at 150℃; for 0.0833333h; microwave irradiation; Further stages.; | 100% |
| With 1,3,5-trichloro-2,4,6-triazine; N,N-dimethyl-formamide In dichloromethane at 25℃; for 0.25h; | 99% |
| With thionyl chloride In N,N-dimethyl-formamide at 60℃; Solvent; Reflux; Industrial scale; | 99.4% |
- 69804-99-5
3-phenylpropanol methanesulfonate
- 104-52-9
phenylpropyl chloride
| Conditions | Yield |
|---|---|
| With 1-butyl-3-methylimidazolium chloride at 50℃; for 1h; Inert atmosphere; Green chemistry; | 99% |
- 24734-68-7
3-Phenylpropane-1-thiol
- 104-52-9
phenylpropyl chloride
| Conditions | Yield |
|---|---|
| With tetrachloromethane; cross-linked polymer (containing 2.50 mmol of phosphine/g) for 2h; Heating; | 98% |
- 866942-18-9
3-phenylpropyl 2-(methoxyethoxyethylcarboxy)-1-benzosulfonate
- 104-52-9
phenylpropyl chloride
| Conditions | Yield |
|---|---|
| With lithium chloride In acetone for 0.5h; Product distribution / selectivity; Heating / reflux; | 98% |
| Conditions | Yield |
|---|---|
| With tetrabutyl-ammonium chloride at 20 - 60℃; for 5h; | 98% |
| With 1,10-Phenanthroline; iron(II) chloride In acetonitrile at 60℃; for 0.5h; | 83% |
| With tetrabutyl-ammonium chloride In acetone at 60℃; for 12h; Inert atmosphere; | 24 mg |
- 104-52-9
phenylpropyl chloride
| Conditions | Yield |
|---|---|
| With lithium chloride In acetone for 6h; Product distribution / selectivity; Heating / reflux; | 96% |
- 18776-12-0
3-chloro-1-phenyl-propan-1-ol
- 104-52-9
phenylpropyl chloride
| Conditions | Yield |
|---|---|
| With indium(III) chloride; diphenylsilyl chloride In dichloromethane at 20℃; for 3h; | 95% |
- 14629-60-8
trimethyl(3-phenylpropoxy)silane
- 104-52-9
phenylpropyl chloride
| Conditions | Yield |
|---|---|
| With 4-aminophenyl diphenylphosphinite; N-chloro-succinimide In dichloromethane for 2h; Heating; | 95% |
| Conditions | Yield |
|---|---|
| With 1-butyl-3-methylimidazolium chloride at 50℃; for 1h; Inert atmosphere; Green chemistry; | 95% |
| With lithium chloride In acetone for 18h; Product distribution / selectivity; Heating / reflux; | 93% |
- 866942-16-7
3-phenylpropyl 2-(methylcarboxy)-1-benzenesulfonate
- 104-52-9
phenylpropyl chloride
| Conditions | Yield |
|---|---|
| With lithium chloride In acetone for 4h; Product distribution / selectivity; Heating / reflux; | 94% |
1-Chloro-3-phenylpropane Chemical Properties
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IUPAC Name: 3-Chloropropylbenzene
Empirical Formula: C9H11Cl
Molecular Weight: 154.6366 g/mol
EINECS: 203-210-2
Water solubility: Slightly soluble
Canonical SMILES: C1=CC=C(C=C1)CCCCl
Index of Refraction: 1.515
Molar Refractivity: 45.28 cm3
Molar Volume: 150.1 cm3
Density: 1.029 g/cm3
Flash Point: 87.2 °C
Melting point: -27 °C
Surface Tension: 33.8 dyne/cm
Enthalpy of Vaporization: 43.8 kJ/mol
Boiling Point: 220.2 °C at 760 mmHg
Vapour Pressure of 1-Chloro-3-phenylpropane (CAS NO.104-52-9): 0.17 mmHg at 25 °C
1-Chloro-3-phenylpropane Toxicity Data With Reference
1-Chloro-3-phenylpropane (CAS NO.104-52-9) hasn't been listed as a carcinogen by ACGIH, IARC, NTP, or CA Prop 65.
1-Chloro-3-phenylpropane Safety Profile
Hazard Codes: 
Xi
Risk Statements: 38
R38: Irritating to skin.
Safety Statements: 23-28-37
S23: Do not breathe vapour.
S28: After contact with skin, wash immediately with plenty of soap-suds.
S37: Wear suitable gloves.
WGK Germany of 1-Chloro-3-phenylpropane (CAS NO.104-52-9): 2
1-Chloro-3-phenylpropane Specification
1-Chloro-3-phenylpropane (CAS NO.104-52-9), its Synonyms are (3-Chloropropyl)benzene ; Benzene, (3-chloropropyl)- . It could be stable under normal temperatures and pressures. It should avoid the condition like incompatible materials. It is not compatible with strong oxidizing agents, strong bases. And also prevent it to broken down into hazardous decomposition products: hydrogen chloride, carbon monoxide, carbon dioxide. However, its hazardous polymerization has not been reported. It is clear colorless to light yellow liquid.
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