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Cas Database

Name	1-(4-Chlorophenyl)-1-phenylethanol	EINECS	N/A
CAS No.	59767-24-7	Density	1.189 g/cm³
PSA	20.23000	LogP	3.59580
Solubility	N/A	Melting Point	N/A
Formula	C₁₄H₁₃ClO	Boiling Point	358.237 °C at 760 mmHg
Molecular Weight	232.71	Flash Point	170.456 °C
Transport Information	N/A	Appearance	N/A
Safety		Risk Codes	N/A
Molecular Structure		Hazard Symbols	N/A
Synonyms	Benzhydrol, 4-chloro-α-methyl- (6CI);(p-Chlorophenyl)methylphenylcarbinol;1-(4-Chlorophenyl)-1-phenylethanol;1-(p-Chlorophenyl)-1-phenylethanol;4-Chloro(a-methyl-α-phenyl)benzenemethanol;EGIS5927;p-Chloro-α-methylbenzhydrol;	Article Data	20

1-(4-Chlorophenyl)-1-phenylethanol Synthetic route

: 143-66-8
sodium tetraphenyl borate

: 99-91-2
para-chloroacetophenone

: 59767-24-7
1-(4-chloro-phenyl)-1-phenyl-ethanol

Conditions

Conditions	Yield
With chloro(η4-1,5-cyclooctadiene){1,3-bis(4-methylbenzyl)perhydrobenzimidazolin-2-ylidene}rhodium(I); ammonium chloride In o-xylene at 120℃; for 25h; Reagent/catalyst; Schlenk technique;	98%
With ammonium chloride; chloro(1,5-cyclooctadiene)rhodium(I) dimer In o-xylene at 120℃; for 25h;

: 99-91-2
para-chloroacetophenone

: 16635-23-7
phenyltriisopropoxytitanium(IV)

: 59767-24-7
1-(4-chloro-phenyl)-1-phenyl-ethanol

Conditions

Conditions	Yield
In diethyl ether for 5h; -20 deg C to r.t.;	95%

: 873-77-8
(4-chlorphenyl)magnesium bromide

: 98-86-2
acetophenone

: 59767-24-7
1-(4-chloro-phenyl)-1-phenyl-ethanol

Conditions

Conditions	Yield
In tetrahydrofuran at 20℃; for 0.55h; Grignard reaction; Inert atmosphere;	95%

: 99-91-2
para-chloroacetophenone

: 100-58-3
phenylmagnesium bromide

: 59767-24-7
1-(4-chloro-phenyl)-1-phenyl-ethanol

Conditions

Conditions	Yield
Stage #1: phenylmagnesium bromide With Et2AlBr In tetrahydrofuran at 0 - 20℃; Inert atmosphere; Stage #2: With titanium(IV) isopropylate; (S)-[1,1']-binaphthalenyl-2,2'-diol In toluene at 0℃; for 0.5h; Inert atmosphere; Stage #3: para-chloroacetophenone Further stages;	90%
In tetrahydrofuran; diethyl ether at 20℃; Grignard Reaction; Inert atmosphere;	51%
With ammonium chloride In tetrahydrofuran
In tetrahydrofuran at 0℃; Grignard Reaction; Inert atmosphere;

: 1118917-34-2
methyl carbamic acid 1-(4-chlorophenyl)-1-phenylethyl ester

: 59767-24-7
1-(4-chloro-phenyl)-1-phenyl-ethanol

Conditions

Conditions	Yield
With sodium ethanolate In ethanol at 78℃;	77%

: 18006-13-8
methyltriisopropoxytitanium(IV)

: 134-85-0
4-chlorobenzophenone

: 59767-24-7
1-(4-chloro-phenyl)-1-phenyl-ethanol

Conditions

Conditions	Yield
In diethyl ether for 20h; -20 deg C to r.t.;	50%

: 108-86-1
bromobenzene

: 99-91-2
para-chloroacetophenone

: 59767-24-7
1-(4-chloro-phenyl)-1-phenyl-ethanol

Conditions

Conditions	Yield
Stage #1: bromobenzene With magnesium; iodine In tetrahydrofuran Inert atmosphere; Reflux; Stage #2: para-chloroacetophenone In tetrahydrofuran at 0 - 20℃; Stage #3: With water; ammonium chloride In tetrahydrofuran at 0℃;	25%

: 3391-10-4
1-(p-chlorophenyl)ethyl alcohol

: phenylmagnesium chloride

: 59767-24-7
1-(4-chloro-phenyl)-1-phenyl-ethanol

: 3391-10-4
1-(p-chlorophenyl)ethyl alcohol

: phenylmagnesium bromide

: 59767-24-7
1-(4-chloro-phenyl)-1-phenyl-ethanol

: 676-58-4
methylmagnesium chloride

: 134-85-0
4-chlorobenzophenone

: 59767-24-7
1-(4-chloro-phenyl)-1-phenyl-ethanol

Conditions

Conditions	Yield
With diethyl ether

1-(4-Chlorophenyl)-1-phenylethanol Specification

The Benzenemethanol, 4-chloro-α-methyl-α-phenyl-, with the CAS registry number 59767-24-7, is also known as 4-Chloro(α-methyl-α-phenyl)benzenemethanol. This chemical's molecular formula is C₁₄H₁₃ClO and molecular weight is 232.70542. What's more, its systematic name is 1-(4-Chlorophenyl)-1-phenylethanol

Physical properties about Benzenemethanol, 4-chloro-α-methyl-α-phenyl- are: (1)ACD/LogP: 3.67; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4; (4)ACD/LogD (pH 7.4): 4; (5)ACD/BCF (pH 5.5): 373; (6)ACD/BCF (pH 7.4): 373; (7)ACD/KOC (pH 5.5): 2410; (8)ACD/KOC (pH 7.4): 2410; (9)#H bond acceptors: 1 ; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3 ; (12) Polar Surface Area: 20.23 Å²; (13)Index of Refraction: 1.592; (14)Molar Refractivity: 66.202 cm³; (15)Molar Volume: 195.656 cm³ ; (16)Polarizability: 26.245×10^-24 cm³; (17)Surface Tension: 43.537 dyne/cm; (18)Density: 1.189 g/cm³; (19)Flash Point: 170.456 °C ; (20)Enthalpy of Vaporization: 63.701 kJ/mol; (21)Boiling Point: 358.237 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: OC(C)(c1ccc(Cl)cc1)c2ccccc2
(2) InChI: InChI=1/C14H13ClO/c1-14(16,11-5-3-2-4-6-11)12-7-9-13(15)10-8-12/h2-10,16H,1H3
(3) InChIKey: MHJLXHJZQCHSIT-UHFFFAOYAI

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