| Identification | More | [Name]
Methyl 3-bromobenzoate | [CAS]
618-89-3 | [Synonyms]
3-BROMOBENZOIC ACID METHYL ESTER
METHYL 3-BROMOBENZOATE
METHYL M-BROMOBENZOATE
RARECHEM AL BF 0052
3-bromo-benzoicacimethylester
Benzoic acid, m-bromo-, methyl ester
Benzoicacid,3-bromo-,methylester
m-Bromobenzoic acid methyl ester
Methyl 3-bromobenzoate, 98+%
Methyl-3-Bromobenzoate 98% | [EINECS(EC#)]
210-569-9 | [Molecular Formula]
C8H7BrO2 | [MDL Number]
MFCD00017777 | [Molecular Weight]
215.04 | [MOL File]
618-89-3.mol |
| Chemical Properties | Back Directory | [Appearance]
white to light yellow low melting crystalline | [Melting point ]
31-33 °C(lit.)
| [Boiling point ]
127-128 °C15 mm Hg(lit.)
| [density ]
1.5313 (rough estimate) | [refractive index ]
1.5575 | [Fp ]
>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 | [InChI]
InChI=1S/C8H7BrO2/c1-11-8(10)6-3-2-4-7(9)5-6/h2-5H,1H3 | [InChIKey]
KMFJVYMFCAIRAN-UHFFFAOYSA-N | [SMILES]
C(OC)(=O)C1=CC=CC(Br)=C1 | [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]
618-89-3(EPA Substance) |
| Safety Data | Back Directory | [Hazard Codes ]
Xi | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S37/39:Wear suitable gloves and eye/face protection .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice . | [WGK Germany ]
3
| [TSCA ]
Yes | [HS Code ]
29163990 |
| Hazard Information | Back Directory | [Chemical Properties]
Methyl 3-bromobenzoate is white to light yellow low melting crystalline
| [Uses]
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.
| [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. |
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