2-Chloro-m-cresol supplier

Name
2-Chloro-m-cresol
EINECS 210-156-3
CAS No. 608-26-4
Article Data18
CAS DataBase
Density 1.228 g/cm³
Solubility
Melting Point 56℃
Formula C₇H₇ClO
Boiling Point 230 °C at 760 mmHg
Molecular Weight 142.585
Flash Point 78.1 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Chloro-3-methyl-phenol;2-Chloro-hydroxytoluene;Chloro-3-cresol;Phenol, 2-chloro-3-methyl-;AC1L24OF;
PSA 20.23000
LogP 2.35400

Synthetic route

: 97329-43-6
1-bromo-2-chloro-3-methyl-benzene

: 608-26-4
2-chloro-m-cresol

Conditions

Conditions	Yield
Stage #1: 1-bromo-2-chloro-3-methyl-benzene With potassium hydroxide In 1,4-dioxane; water for 0.25h; Inert atmosphere; Stage #2: With tris-(dibenzylideneacetone)dipalladium(0); tert-butyl XPhos In 1,4-dioxane; water at 100℃; for 0.583333h; Temperature; Sealed tube; Inert atmosphere;	80%

: 108-39-4
3-methyl-phenol

A: 59-50-7
4-Chloro-3-methylphenol

B: 615-74-7
2-chloro-5-methylphenol

C: 608-26-4
2-chloro-m-cresol

Conditions

Conditions	Yield
With NHCl2 In water pH=6.0; Product distribution; Further Variations:; Reagents; pH-values;	A 50% B 22% C 28%
With sodium hydroxide; sodium hypochlorite; sodium nitrate at 4.85℃; Kinetics; Further Variations:; Temperatures;
With sodium hydroxide; tert-butylhypochlorite; sodium chloride at -35.15℃; Kinetics; Further Variations:; pH-values; conc.;

...Expand

: 108-39-4
3-methyl-phenol

A: 59-50-7
4-Chloro-3-methylphenol

B: 615-74-7
2-chloro-5-methylphenol

C: 13481-70-4
3-methyl-2,6-dichlorophenol

D: 608-26-4
2-chloro-m-cresol

Conditions

Conditions	Yield
With chloroamine In water pH=9.0; Product distribution; Further Variations:; Reagents; pH-values;	A 23% B 19.3% C 10.1% D 32.1%

...Expand

: 95-49-8
2-methylchlorobenzene

A: 59-50-7
4-Chloro-3-methylphenol

B: 17849-38-6
2-Chlorobenzyl alcohol

C: 3260-87-5
3-chloro-o-cresol

D: 615-62-3
3-chloro-4-methylphenol

E: 608-26-4
2-chloro-m-cresol

F: 87-64-9
2-chloro-6-methylphenol

Conditions

Conditions	Yield
With wild type cytochrome P450 CYP102A1 variants RLYF/A330P; oxygen; NADPH Enzymatic reaction;	A 22% B 15% C 22% D n/a E 10% F 28%
With wild type cytochrome P450 CYP102A1(P450Bm3); oxygen; NADPH Enzymatic reaction;	A 24% B 25% C 28% D n/a E 7% F 13%

...Expand

: 2835-97-4
2-amino-3-methylphenol

: 608-26-4
2-chloro-m-cresol

Conditions

Conditions	Yield
ueber die Diazonium-Verbindung;
Stage #1: 2-amino-3-methylphenol With hydrogenchloride; sodium nitrite In water cooling; Stage #2: With copper(l) chloride In water Further stages.;

: 15509-33-8
5-hydroxy-toluene-2,4-disulfonic acid

: 608-26-4
2-chloro-m-cresol

Conditions

Conditions	Yield
Bei Chlorierung und nachfolgender Entfernung der Sulfogruppen;
Chlorieren und Entfernen der Sulfogruppen;

: 90807-19-5
2-chloro-1-methoxy-3-methylbenzene

: 608-26-4
2-chloro-m-cresol

Conditions

Conditions	Yield
With hydrogen iodide

: 507-40-4
tert-butylhypochlorite

: 108-39-4
3-methyl-phenol

: 608-26-4
2-chloro-m-cresol

Conditions

Conditions	Yield
With tetrachloromethane

: 108-39-4
3-methyl-phenol

: 608-26-4
2-chloro-m-cresol

Conditions

Conditions	Yield
With N-chloro-3-methyl-2,6-diphenylpiperidin-4-one; hydrogen cation In ethanol; water at 30℃; Product distribution; Thermodynamic data; ΔH(excit.), ΔS(excit.);
With chloroform; chlorine at 0℃;
With tetrachloromethane; chlorine
With sulfuric acid; chlorine Erhitzen des erhaltenen Sulfonsaeure-Gemisches mit Wasser auf 200grad unter Durchleiten von ueberhitztem Wasserdampf;
With N-chloro-3-methyl-2,6-diphenylpiperidin-4-one; hydrogen cation In ethanol; water at 30℃;

: 95-49-8
2-methylchlorobenzene

A: 59-50-7
4-Chloro-3-methylphenol

B: 17849-38-6
2-Chlorobenzyl alcohol

C: 3260-87-5
3-chloro-o-cresol

D: 615-62-3
3-chloro-4-methylphenol

E: 608-26-4
2-chloro-m-cresol

Conditions

Conditions	Yield
With dinitrogen monoxide In water Rate constant; Product distribution; Mechanism; Ambient temperature; Irradiation; reaction with OH or SO4(2-) radicals;

...Expand

: 56-23-5
tetrachloromethane

: 7782-50-5
chlorine

: 108-39-4
3-methyl-phenol

A: 59-50-7
4-Chloro-3-methylphenol

B: 615-74-7
2-chloro-5-methylphenol

C: 608-26-4
2-chloro-m-cresol

...Expand

: 7664-93-9
sulfuric acid

: 108-39-4
3-methyl-phenol

A: 13481-70-4
3-methyl-2,6-dichlorophenol

B: 17788-00-0
2,4-dichloro-3-methylphenol

C: 608-26-4
2-chloro-m-cresol

Conditions

Conditions	Yield
anschl. mit rauchender H2SO4 und mit Nitrobenzol, Einleiten von Chlor bei 55grad, anschl. mit ueberhitztem Wasserdampf bei 115-180grad;

...Expand

: 108-39-4
3-methyl-phenol

A: 59-50-7
4-Chloro-3-methylphenol

B: 608-26-4
2-chloro-m-cresol

Conditions

Conditions	Yield
With Oxone; ammonium chloride In acetonitrile at 20℃; for 24h;

: 5345-42-6
1-methoxy-3-methyl-2-nitro-benzene

: 608-26-4
2-chloro-m-cresol

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: tin (II)-chloride; hydrochloric acid 3: hydriodic acid View Scheme
Multi-step reaction with 3 steps 1: tin (II)-chloride; hydrochloric acid 3: hydriodic acid View Scheme

: 50868-73-0
2-methoxy-6-methylbenzeneamine

: 608-26-4
2-chloro-m-cresol

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 2: hydriodic acid View Scheme

: 608-26-4
2-chloro-m-cresol

: 4-bromo-2-chloro-3-methylphenol

Conditions

Conditions	Yield
With bromine; acetic acid In dichloromethane at 0℃; for 0.25h; Reagent/catalyst; Solvent; Temperature; Large scale;	95%

: 615-74-7
2-chloro-5-methylphenol

: 608-26-4
2-chloro-m-cresol

: 108-39-4
3-methyl-phenol

Conditions

Conditions	Yield
With hydrogen; 0.75% Pd/Al2O3 at 180℃; Product distribution / selectivity;	94.7%
With hydrogen at 180℃; Product distribution / selectivity;	60.07%
With hydrogen; palladium on activated charcoal at 180℃; for 0 - 48h; Product distribution / selectivity;	45.54%

: 608-26-4
2-chloro-m-cresol

: 1333-74-0
hydrogen

: 32768-54-0
2,3-dichlorotoluene

Conditions

Conditions	Yield
With chlorine; triphenylphosphine In chlorobenzene	92%

: 608-26-4
2-chloro-m-cresol

A: 13481-70-4
3-methyl-2,6-dichlorophenol

B: 17788-00-0
2,4-dichloro-3-methylphenol

Conditions

Conditions	Yield
With chloroamine In water pH=9.0; Product distribution; Further Variations:; Reagents; pH-values;	A 31.6% B 68.4%

: 608-26-4
2-chloro-m-cresol

: 116992-72-4
Phosphorochloridic acid bis-(2-chloro-3-methyl-phenyl) ester

Conditions

Conditions	Yield
With trichlorophosphate Heating;	54%

: 608-26-4
2-chloro-m-cresol

: 13481-70-4
3-methyl-2,6-dichlorophenol

Conditions

Conditions	Yield
With chloroform; chlorine at 0℃;

: 608-26-4
2-chloro-m-cresol

: 17788-00-0
2,4-dichloro-3-methylphenol

Conditions

Conditions	Yield
With chloroform; chlorine at 0℃;

: 608-26-4
2-chloro-m-cresol

: benzoic acid-(2-chloro-3-methyl-phenyl ester)

: 608-26-4
2-chloro-m-cresol

: 98-09-9
benzenesulfonyl chloride

: benzenesulfonic acid-(2-chloro-3-methyl-phenyl ester)

Conditions

Conditions	Yield
With pyridine

: 608-26-4
2-chloro-m-cresol

: 98-59-9
p-toluenesulfonyl chloride

: toluene-4-sulfonic acid-(2-chloro-3-methyl-phenyl ester)

: 608-26-4
2-chloro-m-cresol

: 7782-50-5
chlorine

cold chloroform: cold chloroform

A: 13481-70-4
3-methyl-2,6-dichlorophenol

B: 17788-00-0
2,4-dichloro-3-methylphenol

...Expand

: 608-26-4
2-chloro-m-cresol

: 116992-76-8
Phosphoramidic acid bis-(2-chloro-3-methyl-phenyl) ester

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 54 percent / POCl3 / Heating 2: 62 percent / ammonia / H2O; ethanol View Scheme

: 608-26-4
2-chloro-m-cresol

: C14H15Cl2NO6P2

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1: 54 percent / POCl3 / Heating 2: 62 percent / ammonia / H2O; ethanol 3: 1.) PCl5 4: 66 percent / H2O View Scheme

: 608-26-4
2-chloro-m-cresol

: 116992-87-1
C14H12Cl5NO3P2

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: 54 percent / POCl3 / Heating 2: 62 percent / ammonia / H2O; ethanol 3: 1.) PCl5 View Scheme

: 608-26-4
2-chloro-m-cresol

: 551-76-8
2,4,6-trichloro-m-cresol

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: chloroform; chlorine / 0 °C 2: chloroform; chlorine (1 mol) View Scheme
Multi-step reaction with 2 steps 1: chloroform; chlorine / 0 °C 2: chloroform; chlorine (1 mol) View Scheme

2-Chloro-m-cresol Specification

The 2-Chloro-m-cresol with CAS registry number of 608-26-4 is also known as Phenol, 2-chloro-3-methyl-. The IUPAC name is 2-Chloro-3-methylphenol. Its EINECS registry number is 210-156-3. In addition, the formula is C₇H₇ClO and the molecular weight is 142.58.

Physical properties about 2-Chloro-m-cresol are: (1)ACD/LogP: 2.50; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.5; (4)ACD/LogD (pH 7.4): 2.47; (5)ACD/BCF (pH 5.5): 46.6; (6)ACD/BCF (pH 7.4): 43.9; (7)ACD/KOC (pH 5.5): 544.23; (8)ACD/KOC (pH 7.4): 512.61; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.565; (13)Molar Refractivity: 37.85 cm³; (14)Molar Volume: 116 cm³; (15)Surface Tension: 42.1 dyne/cm; (16)Density: 1.228 g/cm³; (17)Flash Point: 78.1 °C; (18)Enthalpy of Vaporization: 48.56 kJ/mol; (19)Boiling Point: 230 °C at 760 mmHg; (20)Vapour Pressure: 0.0446 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
1. SMILES:Clc1c(cccc1O)C
2. InChI:InChI=1/C7H7ClO/c1-5-3-2-4-6(9)7(5)8/h2-4,9H,1H3
3. InChIKey:HKHXLHGVIHQKMK-UHFFFAOYAK
4. Std. InChI:InChI=1S/C7H7ClO/c1-5-3-2-4-6(9)7(5)8/h2-4,9H,1H3
5. Std. InChIKey:HKHXLHGVIHQKMK-UHFFFAOYSA-N

Product Name

2-Chloro-m-cresol

Synthetic route

2-Chloro-m-cresol Specification

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