ChemicalBook--->CAS DataBase List--->1126-46-1

1126-46-1

1126-46-1 Structure

1126-46-1 Structure
IdentificationMore
[Name]

METHYL 4-CHLOROBENZOATE
[CAS]

1126-46-1
[Synonyms]

4-CHLOROBENZOIC ACID METHYL ESTER
METHYL 4-CHLOROBENZOATE
METHYL P-CHLOROBENZOATE
P-CHLOROBENZOIC ACID METHYL ESTER
RARECHEM AL BF 0077
4-chloro-benzoicacimethylester
Benzoic acid, 4-chloro-, methyl ester
Benzoic acid, p-chloro-, methyl ester
Methyl ester of p-chlorobenzoic acid
4-Chlorobenzoic acid methyl
[EINECS(EC#)]

214-420-9
[Molecular Formula]

C8H7ClO2
[MDL Number]

MFCD00000621
[Molecular Weight]

170.59
[MOL File]

1126-46-1.mol
Chemical PropertiesBack Directory
[Appearance]

COLOURLESS TO WHITE CRYSTALS
[Melting point ]

42-44 °C (lit.)
[Boiling point ]

136-137°C 10mm
[density ]

1,382 g/cm3
[refractive index ]

1.5800 (estimate)
[Fp ]

224 °F
[storage temp. ]

Keep in dark place,Sealed in dry,Room Temperature
[solubility ]

Chloroform (Slightly), Methanol (Slightly)
[form ]

Solid
[color ]

Off-White
[Merck ]

14,2125
[BRN ]

1564310
[LogP]

2.870
[CAS DataBase Reference]

1126-46-1(CAS DataBase Reference)
[EPA Substance Registry System]

Benzoic acid, 4-chloro-, methyl ester (1126-46-1)
Safety DataBack Directory
[Risk Statements ]

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

S24/25:Avoid contact with skin and eyes .
[WGK Germany ]

3
[TSCA ]

Yes
[HazardClass ]

IRRITANT
[HS Code ]

29163990
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Benzamide, 4-chloro-N-methoxy--->4-chloro-N,N-dimethylbenzamide-->4-Chlorobenzyl alcohol-->1-(4-Chlorophenyl)ethanol-->4-CHLOROBENZANILIDE
[Preparation Products]

1,2,3-BENZOTHIADIAZOLE-5-CARBOXYLIC ACID-->4-CHLOROBENZOYLACETONITRILE-->SODIUM P-CHLOROBENZOATE-->4-(Butylamino)-benzoic acid, methyl ester-->3-(4-CHLOROPHENYL)-1H-PYRAZOL-5-AMINE-->METHYL 4-VINYLBENZOATE-->Methyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate-->3-amino-1-(4-chlorophenyl)propan-1-ol-->4-Chloro-N-n-hexylbenzaMide, 97%
Hazard InformationBack Directory
[Chemical Properties]

COLOURLESS TO WHITE CRYSTALS
[Uses]

Methyl 4-chlorobenzoate was used in quantitative determination of chlorophenoxyisobutyrate (CPIB) and salicylic acid, the metabolites of clofibrate and aspirin, by GC-MS method.
[Synthesis Reference(s)]

Synthesis, p. 790, 1981 DOI: 10.1055/s-1981-29595
[General Description]

Methyl 4-chlorobenzoate undergoes room temperature Pd-mediated hydrodehalogenation with KF and polymethylhydrosiloxane (PMHS) to yield methyl benzoate. It undergoes Suzuki-Miyaura coupling reaction with phenylboronic acid in the presence of bis-carbene palladium complex catalyst to yield methyl-(4-phenyl)-benzoate.
Spectrum DetailBack Directory
[Spectrum Detail]

METHYL 4-CHLOROBENZOATE(1126-46-1)1HNMR
METHYL 4-CHLOROBENZOATE(1126-46-1)Raman
METHYL 4-CHLOROBENZOATE(1126-46-1)FT-IR
METHYL 4-CHLOROBENZOATE(1126-46-1)IR
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

Methyl 4-chlorobenzoate, 99%(1126-46-1)
[Sigma Aldrich]

1126-46-1(sigmaaldrich)
[TCI AMERICA]

Methyl 4-Chlorobenzoate,>98.0%(GC)(1126-46-1)
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