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Basic Information
CAS No.: 10304-81-1
Name: 2-chloropropylbenzene
Article Data: 61
Molecular Structure:
Molecular Structure of 10304-81-1 (2-chloropropylbenzene)
Formula: C9H11Cl
Molecular Weight: 154.639
Synonyms: (2-Chloropropyl)benzene;1-Phenyl-2-chloropropane;2-Chloro-1-phenylpropane;NSC 27450;
Density: 1.027 g/cm3
Boiling Point: 211.1 °C at 760 mmHg
Flash Point: 79.7 °C
PSA: 0.00000
LogP: 2.85640
Synthetic route
698-87-3

3-phenyl-2-propanol

10304-81-1

1-phenyl-2-chloropropane

Conditions
ConditionsYield
With oxalyl dichloride; 1-methyl-3-(2-(3-methyl-2-oxoimidazolidin-1-yl)ethyl)-1H-imidazol-3-ium hexafluorophosphate at 20 - 60℃;95%
With tetrachlorosilane In tetrachloromethane at 25℃; for 0.5h;80%
With gallium(III) trichloride; dimethylmonochlorosilane; diethyl (2R,3R)-tartrate In dichloromethane; pentane at 20℃; for 1h; Inert atmosphere;69%
698-87-3

3-phenyl-2-propanol

2570-00-5

3,3-dichloro-1,2-diphenylcyclopropene

A

10304-81-1

1-phenyl-2-chloropropane

B

886-38-4

diphenylcyclopropenone

Conditions
ConditionsYield
In acetonitrile at 80℃; for 0.333333h; Inert atmosphere;A 95%
B n/a
866942-23-6

1-phenyl-2-propyl 2-(methoxyethoxyethylcarboxy)-1-benzosulfonate

10304-81-1

1-phenyl-2-chloropropane

Conditions
ConditionsYield
With lithium chloride In acetone for 8h;94%
With lithium chloride In acetone for 8h; Product distribution / selectivity; Heating / reflux;94%
61380-47-0

(±)-1-phenylpropanyl-2-yl methansulfonate

10304-81-1

1-phenyl-2-chloropropane

Conditions
ConditionsYield
With 1-butyl-3-methylimidazolium chloride at 60℃; for 8h; Inert atmosphere; Green chemistry;94%

1-phenyl-2-(chlorodimethylsiloxy)propane

10304-81-1

1-phenyl-2-chloropropane

Conditions
ConditionsYield
With indium(III) chloride; benzil In dichloromethane at 20℃; for 7h;82%
134906-52-8

1-phenyl-2-propyl benzenesulphonate

10304-81-1

1-phenyl-2-chloropropane

Conditions
ConditionsYield
With benzyltri(n-butyl)ammonium chloride In acetone for 0.5h; Reflux;82%
With lithium chloride; manganese(ll) chloride In tetrahydrofuran Inert atmosphere; Reflux;60%
100-56-1

phenylmercury(II) chloride

10304-81-1

1-phenyl-2-chloropropane

Conditions
ConditionsYield
With lithium chloride; copper dichloride; lithium tetrachloropalladate(II)
7705-08-0

iron(III) chloride

107-18-6

allyl alcohol

71-43-2

benzene

10304-81-1

1-phenyl-2-chloropropane

Conditions
ConditionsYield
at 80℃;
7705-08-0

iron(III) chloride

107-18-6

allyl alcohol

71-43-2

benzene

A

300-57-2

allylbenzene

B

10304-81-1

1-phenyl-2-chloropropane

Conditions
ConditionsYield
at 25℃;
7705-08-0

iron(III) chloride

107-05-1

3-chloroprop-1-ene

71-43-2

benzene

A

10304-81-1

1-phenyl-2-chloropropane

B

5814-85-7

1,2-diphenylpropane

Conditions
ConditionsYield
at -10℃;
at -20 - -10℃;
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Specification

The Benzene,(2-chloropropyl)- is an organic compound with the formula C9H11Cl. The IUPAC name of this chemical is 2-chloropropylbenzene. With the CAS registry number 10304-81-1, it is also named as 1-Phenyl-2-chloropropane.

Physical properties about Benzene,(2-chloropropyl)- are: (1)ACD/LogP: 3.22; (2)#Freely Rotating Bonds: 2; (3)Index of Refraction: 1.513; (4)Molar Refractivity: 45.24 cm3; (5)Molar Volume: 150.5 cm3; (6)Polarizability: 17.93×10-24cm3; (7)Surface Tension: 32.5 dyne/cm; (8)Density: 1.027 g/cm3; (9)Flash Point: 79.7 °C; (10)Enthalpy of Vaporization: 42.91 kJ/mol; (11)Boiling Point: 211.1 °C at 760 mmHg; (12)Vapour Pressure: 0.27 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: ClC(Cc1ccccc1)C
(2)InChI: InChI=1/C9H11Cl/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3
(3)InChIKey: CKWAHIDVXZGPES-UHFFFAOYAH
(4)Std. InChI: InChI=1S/C9H11Cl/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3
(5)Std. InChIKey: CKWAHIDVXZGPES-UHFFFAOYSA-N