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Basic Information
CAS No.: 608-26-4
Name: 2-Chloro-m-cresol
Molecular Structure:
Molecular Structure of 608-26-4 (2-Chloro-m-cresol)
Formula: C7H7ClO
Molecular Weight: 142.585
Synonyms: 2-Chloro-3-methyl-phenol;2-Chloro-hydroxytoluene;Chloro-3-cresol;Phenol, 2-chloro-3-methyl-;AC1L24OF;
EINECS: 210-156-3
Density: 1.228 g/cm3
Melting Point: 56℃
Boiling Point: 230 °C at 760 mmHg
Flash Point: 78.1 °C
PSA: 20.23000
LogP: 2.35400
Related products
Synthetic route
97329-43-6

1-bromo-2-chloro-3-methyl-benzene

608-26-4

2-chloro-m-cresol

Conditions
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
With hydrogen iodide
507-40-4

tert-butylhypochlorite

108-39-4

3-methyl-phenol

608-26-4

2-chloro-m-cresol

Conditions
ConditionsYield
With tetrachloromethane
108-39-4

3-methyl-phenol

608-26-4

2-chloro-m-cresol

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