ChemicalBook--->CAS DataBase List--->127666-99-3

127666-99-3

127666-99-3 Structure

127666-99-3 Structure
IdentificationBack Directory
[Name]

2-CHLORO-4-METHOXYBENZONITRILE
[CAS]

127666-99-3
[Synonyms]

BUTTPARK 120\07-70
3-Chloro-4-cyanoanisole
2-CHLORO-4-METHOXYBENZONITRILE
Benzonitrile,2-chloro-4-methoxy-
2-chloro-4-Methoxy benzene nitrile
2-BROMO-7-METHYLH-IMIDAZO[1,4-A]PYRIDINE*
2-chloro-4-(trifluoromethoxy)benzonitrile
3-Chloro-4-cyanoanisole, 2-Chloro-p-anisonitrile
[Molecular Formula]

C8H6ClNO
[MDL Number]

MFCD00156133
[MOL File]

127666-99-3.mol
[Molecular Weight]

167.59
Chemical PropertiesBack Directory
[Melting point ]

71-75°C
[Boiling point ]

296.6±20.0 °C(Predicted)
[density ]

1.25±0.1 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,Room Temperature
[Appearance]

White to off-white Solid
Safety DataBack Directory
[Symbol(GHS) ]


GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H227
[Precautionary statements ]

P501-P210-P264-P280-P302+P352-P370+P378-P337+P313-P305+P351+P338-P362+P364-P332+P313-P403+P235
[Hazard Codes ]

Xi,Xn
[Risk Statements ]

22
[Hazard Note ]

Irritant
[HS Code ]

2926907090
Hazard InformationBack Directory
[Chemical Properties]

Off-white crystalline
[Synthesis]

2-CHLORO-4-HYDROXYBENZONITRILE

3336-16-1

Iodomethane

74-88-4

2-CHLORO-4-METHOXYBENZONITRILE

127666-99-3

General procedure for the synthesis of 2-chloro-4-methoxybenzonitrile from 2-chloro-4-hydroxybenzonitrile and iodomethane: To a stirred solution of 2-chloro-4-hydroxybenzonitrile (2.5 g, 16 mmol) in DMF (25 mL) was slowly added NaH (0.431 g, 18.0 mmol) at 0 °C. After 30 min, iodomethane (3.47 g, 24.4 mmol), followed by continued stirring of the reaction mixture for 1 h at room temperature. After completion of the reaction, the reaction mixture was quenched with ice water and extracted with ether. The organic layer was washed sequentially with water and saturated NaCl solution, dried over Na2SO4 and concentrated in vacuum to afford the target product 2-chloro-4-methoxybenzonitrile as a brown solid (2.7 g, 98% yield).

[References]

[1] Patent: WO2010/65760, 2010, A1. Location in patent: Page/Page column 133-134
[2] Patent: WO2006/8046, 2006, A1. Location in patent: Page/Page column 47
Spectrum DetailBack Directory
[Spectrum Detail]

2-CHLORO-4-METHOXYBENZONITRILE(127666-99-3)1HNMR
2-CHLORO-4-METHOXYBENZONITRILE(127666-99-3)FT-IR
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