ChemicalBook--->CAS DataBase List--->619-42-1

619-42-1

619-42-1 Structure

619-42-1 Structure
IdentificationMore
[Name]

Methyl 4-bromobenzoate
[CAS]

619-42-1
[Synonyms]

4-BROMOBENZOIC ACID METHYL ESTER
BRBSME
METHYL 4-BROMOBENZOATE
METHYL P-BROMOBENZOATE
RARECHEM AL BF 0075
4-bromo-benzoicacimethylester
Benzoic acid, 4-bromo-, methyl ester
Benzoic acid, p-bromo-, methyl ester
Benzoicacid,4-bromo-,methylester
p-Bromobenzoic acid, methyl ester
1-BROMO-4-(METHOXYCARBONYL)BENZENE
Methyl 4-bromobenzoate, 98+%
[EINECS(EC#)]

210-596-6
[Molecular Formula]

C8H7BrO2
[MDL Number]

MFCD00013531
[Molecular Weight]

215.04
[MOL File]

619-42-1.mol
Chemical PropertiesBack Directory
[Appearance]

WHITE CRYSTALS OR CRYSTALLINE POWDER
[Melting point ]

77-81 °C (lit.)
[Boiling point ]

252.95°C (rough estimate)
[density ]

1,689 g/cm3
[refractive index ]

1.5500 (estimate)
[storage temp. ]

Sealed in dry,Room Temperature
[solubility ]

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

Crystals or Crystalline Powder
[color ]

White
[Water Solubility ]

Insoluble in water.
[Merck ]

14,1408
[BRN ]

2045132
[InChIKey]

HANNIMAAZKBBRE-UHFFFAOYSA-N
[CAS DataBase Reference]

619-42-1(CAS DataBase Reference)
[NIST Chemistry Reference]

4-Bromobenzoic acid methyl ester(619-42-1)
[EPA Substance Registry System]

619-42-1(EPA Substance)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

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

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S24/25:Avoid contact with skin and eyes .
[WGK Germany ]

3
[TSCA ]

Yes
[HS Code ]

29163990
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

Methyl 4-bromobenzoate(619-42-1).msds
Hazard InformationBack Directory
[Chemical Properties]

WHITE CRYSTALS OR CRYSTALLINE POWDER
[Uses]

Methyl 4-bromobenzoate is halogenated benzoate used as a reagent in organic synthesis. Methyl 4-bromobenzoate can be used to stimulate microbial dechlorination of PCBs. It is also used in the preparation of stable radioiodinating reagent to label monoclonal antibodies for radiotherapy of cancer.
[General Description]

Methyl 4-bromobenzoate is a para-substituted aryl bromide. Mol-ecules of methyl 4-bromobenzoate are almost planar. The compound is isostructural with methyl 4-iodo-benzoate. The Zeeman effect on the N.Q.R. (nuclear quadrupole resonance) of methyl 4-bromobenzoate on single crystals, has been investigated by the ′geometric method′.
[Purification Methods]

Crystallise the ester from MeOH. EtOH (m 81o, also 80.5o, 79.5o) or *C6H6/pet ether (m 78-79o). [Beilstein 9 H 352, 9 III 1405, 9 IV 1017.]
Spectrum DetailBack Directory
[Spectrum Detail]

Methyl 4-bromobenzoate(619-42-1)MS
Methyl 4-bromobenzoate(619-42-1)1HNMR
Methyl 4-bromobenzoate(619-42-1)13CNMR
Methyl 4-bromobenzoate(619-42-1)IR1
Methyl 4-bromobenzoate(619-42-1)IR2
Methyl 4-bromobenzoate(619-42-1)IR3
Methyl 4-bromobenzoate(619-42-1)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

Methyl 4-bromobenzoate, 99%(619-42-1)
[Alfa Aesar]

Methyl 4-bromobenzoate, 98+%(619-42-1)
[Sigma Aldrich]

619-42-1(sigmaaldrich)
[TCI AMERICA]

Methyl 4-Bromobenzoate,>98.0%(GC)(619-42-1)
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