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55685-75-1

Basic Information
CAS No.: 55685-75-1
Name: 4-CHLORO-2-METHOXYBENZYL ALCOHOL 97
Article Data: 4
Molecular Structure:
Molecular Structure of 55685-75-1 (4-CHLORO-2-METHOXYBENZYL ALCOHOL  97)
Formula: C8H9ClO2
Molecular Weight: 172.611
Synonyms: 4-CHLORO-2-METHOXYBENZYL ALCOHOL 97;4-Chloro-alpha-methoxybenzenemethanol
Density: 1.239g/cm3
Melting Point: 47-51 °C(lit.)
Boiling Point: 268.2 °C at 760 mmHg
Flash Point: 116 °C
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-36
PSA: 29.46000
LogP: 1.84090
Synthetic route
67-56-1

methanol

104-88-1

4-chlorobenzaldehyde

55685-75-1

4-chlorobenzaldehyde methyl hemiacetal

Conditions
ConditionsYield
In 1,4-dioxane at 24.9℃; Equilibrium constant; Rate constant;
With hydrogenchloride; lithium acetate In 1,4-dioxane at 24.85℃; pH=4.0; Equilibrium constant; Kinetics; Further Variations:; Solvents; concentrations; Reduction; hemiacetalization; Electrochemical reaction;
With potassium tert-butylate In d(4)-methanol at 20℃; for 2h; Equilibrium constant;
67-56-1

methanol

27704-37-6

2,2,2-trichloro-1-(4-chlorophenyl)ethanone

A

1126-46-1

Methyl 4-chlorobenzoate

B

55685-75-1

4-chlorobenzaldehyde methyl hemiacetal

Conditions
ConditionsYield
With triethylamine In tetrahydrofuran at 20℃; for 1h; Inert atmosphere;
106-39-8

bromochlorobenzene

A

1126-46-1

Methyl 4-chlorobenzoate

B

55685-75-1

4-chlorobenzaldehyde methyl hemiacetal

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1.1: lithium chloride; magnesium / tetrahydrofuran / 2 h / 20 °C / Inert atmosphere
1.2: 0.5 h / 0 °C / Inert atmosphere
1.3: 2 h / 0 °C / Inert atmosphere
2.1: triethylamine / tetrahydrofuran / 1 h / 20 °C / Inert atmosphere
View Scheme
55685-75-1

4-chlorobenzaldehyde methyl hemiacetal

A

67-56-1

methanol

B

104-88-1

4-chlorobenzaldehyde

Conditions
ConditionsYield
In 1,4-dioxane at 24.9℃; Equilibrium constant;
55685-75-1

4-chlorobenzaldehyde methyl hemiacetal

104-88-1

4-chlorobenzaldehyde

Conditions
ConditionsYield
With hydrogenchloride; lithium acetate In 1,4-dioxane; methanol at 24.85℃; pH=4.0; Equilibrium constant; Further Variations:; concentrations; Disproportionation; Electrochemical reaction;
55685-75-1

4-chlorobenzaldehyde methyl hemiacetal

1126-46-1

Methyl 4-chlorobenzoate

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1.1: potassium tert-butylate / d(4)-methanol / 2 h / 20 °C
2.1: potassium tert-butylate
2.2: gold nanoparticles supported on polytetrafluoroethylene / 0.13 h
View Scheme
67-56-1

methanol

55685-75-1

4-chlorobenzaldehyde methyl hemiacetal

104-88-1

4-chlorobenzaldehyde

Conditions
ConditionsYield
With potassium tert-butylate In d(4)-methanol at 20℃; for 2h; Equilibrium constant;
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Specification

The Benzenemethanol,4-chloro-a-methoxy-, with CAS registry number 55685-75-1, belongs to the following product categories: (1)Alcohols; (2)C7 to C8; (3)Oxygen Compounds. It has the systematic name of (4-chloro-2-methoxyphenyl)methanol. And the chemical formula of this chemical is C8H9ClO2.

Physical properties of Benzenemethanol,4-chloro-a-methoxy-: (1)ACD/LogP: 1.78; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.78; (4)ACD/LogD (pH 7.4): 1.78; (5)ACD/BCF (pH 5.5): 13.2; (6)ACD/BCF (pH 7.4): 13.2; (7)ACD/KOC (pH 5.5): 220.62; (8)ACD/KOC (pH 7.4): 220.62; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 18.46 Å2; (13)Index of Refraction: 1.548; (14)Molar Refractivity: 44.27 cm3; (15)Molar Volume: 139.2 cm3; (16)Polarizability: 17.55×10-24cm3; (17)Surface Tension: 41.5 dyne/cm; (18)Density: 1.239 g/cm3; (19)Flash Point: 116 °C; (20)Enthalpy of Vaporization: 53.48 kJ/mol; (21)Boiling Point: 268.2 °C at 760 mmHg; (22)Vapour Pressure: 0.00386 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The Benzenemethanol,4-chloro-a-methoxy- irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1cc(OC)c(cc1)CO
(2)InChI: InChI=1/C8H9ClO2/c1-11-8-4-7(9)3-2-6(8)5-10/h2-4,10H,5H2,1H3
(3)InChIKey: AXXPZAITCCIOIA-UHFFFAOYAI