Benzenemethanol,4-chloro-a-methoxy- supplier

Name
4-CHLORO-2-METHOXYBENZYL ALCOHOL 97
EINECS
CAS No. 55685-75-1
Article Data4
CAS DataBase
Density 1.239g/cm³
Solubility
Melting Point 47-51 °C(lit.)
Formula C₈H₉ClO₂
Boiling Point 268.2 °C at 760 mmHg
Molecular Weight 172.611
Flash Point 116 °C
Transport Information
Appearance
Safety 26-36
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms 4-CHLORO-2-METHOXYBENZYL ALCOHOL 97;4-Chloro-alpha-methoxybenzenemethanol
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

Conditions	Yield
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

Conditions	Yield
With triethylamine In tetrahydrofuran at 20℃; for 1h; Inert atmosphere;

...Expand

: 106-39-8
bromochlorobenzene

A: 1126-46-1
Methyl 4-chlorobenzoate

B: 55685-75-1
4-chlorobenzaldehyde methyl hemiacetal

Conditions

Conditions	Yield
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

Conditions	Yield
In 1,4-dioxane at 24.9℃; Equilibrium constant;

: 55685-75-1
4-chlorobenzaldehyde methyl hemiacetal

: 104-88-1
4-chlorobenzaldehyde

Conditions

Conditions	Yield
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

Conditions	Yield
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

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

Benzenemethanol,4-chloro-a-methoxy- 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

Product Name

4-CHLORO-2-METHOXYBENZYL ALCOHOL 97

Synthetic route

Benzenemethanol,4-chloro-a-methoxy- Specification

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