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HomeProduct name listMethyl 3-bromobenzoate

Methyl 3-bromobenzoate

  • CAS NO.:618-89-3
  • Empirical Formula: C8H7BrO2
  • Molecular Weight: 215.04
  • MDL number: MFCD00017777
  • EINECS: 210-569-9
  • SAFETY DATA SHEET (SDS)
  • Update Date: 2023-11-08 17:00:29
Methyl 3-bromobenzoate Structural

What is Methyl 3-bromobenzoate?

Chemical properties

Methyl 3-bromobenzoate is white to light yellow low melting crystalline

The Uses of Methyl 3-bromobenzoate

Methyl 3-bromobenzoate is an halogenated benzoate derivative used as a reagent in organic synthesis.Methyl 3-bromobenzoate is used in the synthesis of a novel series of tetrahydro dibenzazocine as inhibitors of 17β-hydroxysteroid dehydrogenase type 3.

The Uses of Methyl 3-bromobenzoate

Methyl 3-bromobenzoate is used as a reagent in organic synthesis. It is used in the synthesis of tetrahydro dibenzazocine, which acts as an inhibitor of 17beta-hydroxysteroid dehydrogenase type 3. Further, it is used to prepare 3-tert-butylphosphanyl-benzoic acid methyl ester by reacting with tert-butyltrimethylsilylphosphine.

General Description

Methyl 3-bromobenzoate is an aryl bromide. It undergoes stereoconvergent cross-coupling with potassium trifluoro(1-phenylethyl)borate to form 1,1-diarylethane derivative. The Negishi cross-coupling reaction between methyl 3-bromobenzoate and diarylzinc reagents in the presence of a palladium catalyst has been reported. Methyl-3-bromobenzoate can be converted into the corresponding benzonitrile using dichloro[bis{1-(dicyclohexylphosphanyl)piperidine}]palladium as a C-C cross-coupling catalyst and K4[Fe(CN)6] as a cyanating agent.

Properties of Methyl 3-bromobenzoate

Melting point: 31-33 °C(lit.)
Boiling point: 127-128 °C15 mm Hg(lit.)
Density  1.5313 (rough estimate)
refractive index  1.5575
Flash point: >230 °F
storage temp.  Sealed in dry,Room Temperature
form  Crystalline Solid or Liquid
color  White to light yellow
Water Solubility  Slightly soluble in water.
BRN  1940810
CAS DataBase Reference 618-89-3(CAS DataBase Reference)
NIST Chemistry Reference Benzoic acid, 3-bromo-, methyl ester(618-89-3)
EPA Substance Registry System Benzoic acid, 3-bromo-, methyl ester (618-89-3)

Safety information for Methyl 3-bromobenzoate

Signal word Danger
Pictogram(s)
ghs
Skull and Crossbones
Acute Toxicity
GHS06
GHS Hazard Statements H315:Skin corrosion/irritation
H319:Serious eye damage/eye irritation
H335:Specific target organ toxicity, single exposure;Respiratory tract irritation
Precautionary Statement Codes P261:Avoid breathing dust/fume/gas/mist/vapours/spray.
P264:Wash hands thoroughly after handling.
P264:Wash skin thouroughly after handling.
P270:Do not eat, drink or smoke when using this product.
P271:Use only outdoors or in a well-ventilated area.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P302+P352:IF ON SKIN: wash with plenty of soap and water.
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
P332+P313:IF SKIN irritation occurs: Get medical advice/attention.
P337+P313:IF eye irritation persists: Get medical advice/attention.
P405:Store locked up.
P403+P233:Store in a well-ventilated place. Keep container tightly closed.

Computed Descriptors for Methyl 3-bromobenzoate

InChIKey KMFJVYMFCAIRAN-UHFFFAOYSA-N

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