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18113-03-6

18113-03-6 Structure

18113-03-6 Structure
IdentificationMore
[Name]

2-CHLORO-4-METHOXYPHENOL
[CAS]

18113-03-6
[Synonyms]

2-CHLORO-4-METHOXYPHENOL
3-CHLORO-4-HYDROXYANISOLE
2-Chlorohydroquinonemonomethylether
2-chloro-4-methoxylphenol
[EINECS(EC#)]

242-007-3
[Molecular Formula]

C7H7ClO2
[MDL Number]

MFCD00070773
[Molecular Weight]

158.58
[MOL File]

18113-03-6.mol
Chemical PropertiesBack Directory
[Appearance]

WHITE TO LIGHT YELLOW CRYST. LOW MELTING SOLID
[Melting point ]

41-44 °C(lit.)
[Boiling point ]

241°C (rough estimate)
[density ]

1.153 g/mL at 25 °C(lit.)
[Fp ]

185 °F
[storage temp. ]

Sealed in dry,2-8°C
[form ]

Crystalline Low Melting Solid
[pka]

8.98±0.18(Predicted)
[color ]

White to light yellow
[Specific Gravity]

1.153
[BRN ]

1936412
[InChI]

1S/C7H7ClO2/c1-10-5-2-3-7(9)6(8)4-5/h2-4,9H,1H3
[InChIKey]

GNVRRKLFFYSLGT-UHFFFAOYSA-N
[SMILES]

COc1ccc(O)c(Cl)c1
[CAS DataBase Reference]

18113-03-6(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S37/39:Wear suitable gloves and eye/face protection .
[WGK Germany ]

3
[Hazard Note ]

Irritant
[HS Code ]

29071990
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Hazard InformationBack Directory
[Chemical Properties]

WHITE TO LIGHT YELLOW CRYST. LOW MELTING SOLID
[Synthesis]

4,4-DIMETHOXY-2,5-CYCLOHEXADIEN-1-ONE, 96

935-50-2

2-CHLORO-4-METHOXYPHENOL

18113-03-6

General procedure for the synthesis of 2-chloro-4-methoxyphenol from 4,4-dimethoxycyclohexa-2,5-dien-1-one: 4,4-dimethoxycyclohexa-2,5-dien-1-one (1.0 mmol) was added to the reaction vessel, followed by the addition of a solution of 1,4-dioxane in 4N HCl (0.5 mL, 2 mmol) dropwise. The yellow color of the reaction mixture faded rapidly. After completion of the reaction, the solvent was removed by vacuum evaporation. The residue was diluted with ethyl acetate (10 mL) and washed with saturated aqueous NaHCO3 solution (5 mL). The organic layer was dried with anhydrous Na2SO4, filtered and concentrated to give 2-chloro-4-methoxyphenol in 95% yield. If necessary, it can be purified by column chromatography using ethyl acetate/hexane gradient elution.

[References]

[1] Organic and Biomolecular Chemistry, 2014, vol. 12, # 18, p. 2854 - 2858
[2] Tetrahedron Letters, 2016, vol. 57, # 1, p. 15 - 19
Spectrum DetailBack Directory
[Spectrum Detail]

2-CHLORO-4-METHOXYPHENOL(18113-03-6)MS
2-CHLORO-4-METHOXYPHENOL(18113-03-6)1HNMR
2-CHLORO-4-METHOXYPHENOL(18113-03-6)13CNMR
2-CHLORO-4-METHOXYPHENOL(18113-03-6)IR1
2-CHLORO-4-METHOXYPHENOL(18113-03-6)IR2
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

2-Chloro-4-methoxyphenol, 97%(18113-03-6)
[Alfa Aesar]

2-Chloro-4-methoxyphenol, 97%(18113-03-6)
[Sigma Aldrich]

18113-03-6(sigmaaldrich)
[TCI AMERICA]

2-Chloro-4-methoxyphenol,>96.0%(GC)(18113-03-6)
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