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ChemicalBook--->CAS DataBase List--->618-89-3

618-89-3

618-89-3 Structure

618-89-3 Structure
IdentificationMore
[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 PropertiesBack 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
[InChIKey]

KMFJVYMFCAIRAN-UHFFFAOYSA-N
[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 DataBack 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
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

Methyl 3-bromobenzoate(618-89-3).msds
Hazard InformationBack 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.
Spectrum DetailBack Directory
[Spectrum Detail]

Methyl 3-bromobenzoate(618-89-3)MS
Methyl 3-bromobenzoate(618-89-3)1HNMR
Methyl 3-bromobenzoate(618-89-3)13CNMR
Methyl 3-bromobenzoate(618-89-3)IR1
Methyl 3-bromobenzoate(618-89-3)IR2
Methyl 3-bromobenzoate(618-89-3)IR3
Methyl 3-bromobenzoate(618-89-3)IR
Methyl 3-bromobenzoate(618-89-3)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

Methyl 3-bromobenzoate, 98%(618-89-3)
[Alfa Aesar]

Methyl 3-bromobenzoate, 98+%(618-89-3)
[Sigma Aldrich]

618-89-3(sigmaaldrich)
[TCI AMERICA]

Methyl 3-Bromobenzoate,>99.0%(GC)(618-89-3)
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