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| CAS No.: | 608-26-4 |
|---|---|
| Name: | 2-Chloro-m-cresol |
| Article Data: | 18 |
| Molecular Structure: | |
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| 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 |
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- 99170-93-1N-Methyl-2-oxazolamine
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- 914458-26-7[5-(2-fluorophenyl)-1-pentyl-1H-pyrrol-3-yl]-1-naphthalenyl-Methanone
- 894852-01-87-BROMO-2,2-DIMETHYL-2H-PYRIDO[3,2-B][1,4]OXAZIN-3(4H)-ONE
- 97329-43-6
1-bromo-2-chloro-3-methyl-benzene
- 608-26-4
2-chloro-m-cresol
| 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 | 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.; |
- 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 | 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% |
- 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 | 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% |
| 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 | 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 | Yield |
|---|---|
| With hydrogen iodide |
| Conditions | Yield |
|---|---|
| With tetrachloromethane |
| 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 | Yield |
|---|---|
| With dinitrogen monoxide In water Rate constant; Product distribution; Mechanism; Ambient temperature; Irradiation; reaction with OH or SO4(2-) radicals; |
- Total:17 Page 1 of 1 1
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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