ChemicalBook--->CAS DataBase List--->5798-75-4

5798-75-4

5798-75-4 Structure

5798-75-4 Structure
IdentificationMore
[Name]

Ethyl 4-bromobenzoate
[CAS]

5798-75-4
[Synonyms]

4-BROMOBENZOIC ACID ETHYL ESTER
ETHYL 4-BROMOBENZOATE
ETHYL P-BROMOBENZOATE
RARECHEM AL BI 0075
4-bromo-benzoicaciethylester
Benzoic acid, p-bromo-, ethyl ester
p-(Ethoxycarbonyl)phenyl bromide
Ethyl 4-bromobenzoate, 98+%
Ethyl 4-bromobenzoate 99+%
4-BROMOBENZOIC ACID ETHYL ESTER 98+%
4-(Ethoxycarbonyl)phenyl bromide
[EINECS(EC#)]

227-347-2
[Molecular Formula]

C9H9BrO2
[MDL Number]

MFCD00016329
[Molecular Weight]

229.07
[MOL File]

5798-75-4.mol
Chemical PropertiesBack Directory
[Appearance]

clear colorless to yellow liquid
[Melting point ]

18 °C
[Boiling point ]

131 °C/14 mmHg (lit.)
[density ]

1.403 g/mL at 25 °C(lit.)
[refractive index ]

n20/D 1.544(lit.)
[Fp ]

>230 °F
[storage temp. ]

Sealed in dry,Room Temperature
[form ]

clear liquid
[color ]

Colorless to Light yellow to Light orange
[Specific Gravity]

1.403
[Water Solubility ]

Insoluble
[Merck ]

14,1408
[BRN ]

1867129
[InChIKey]

XZIAFENWXIQIKR-UHFFFAOYSA-N
[CAS DataBase Reference]

5798-75-4(CAS DataBase Reference)
[NIST Chemistry Reference]

Benzoic acid, 4-bromo-, ethyl ester(5798-75-4)
[EPA Substance Registry System]

5798-75-4(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Corrosion (GHS05)Flame (GHS02)
GHS05,GHS02
[Signal word ]

Danger
[Hazard statements ]

H314-H225
[Precautionary statements ]

P501-P240-P210-P233-P243-P241-P242-P264-P280-P370+P378-P303+P361+P353-P301+P330+P331-P363-P304+P340+P310-P305+P351+P338+P310-P403+P235-P405
[Hazard Codes ]

Xi
[Risk Statements ]

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

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

UN 3082 9 / PGIII
[WGK Germany ]

3
[Hazard Note ]

Irritant
[TSCA ]

Yes
[HS Code ]

29163990
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Benzoic acid, 4-[[(trifluoromethyl)sulfonyl]oxy]-, ethyl ester-->2-(4-Bromophenyl)-2-oxoacetic acid-->4-Bromobenzyl alcohol-->(4-Bromo-phenyl)-oxo-acetaldehyde-->Benzenediazonium, 4-(ethoxycarbonyl)-, tetrafluoroborate(1-)-->1-Carbethoxyimidazole-->potassium ethyl oxalate-->4-Bromobenzaldehyde diethyl acetal
[Preparation Products]

Ethyl 4-acetylbenzoate-->4-Ethynyl-benzoic acid-->Ethyl 4-(5-formyl-2-furyl)benzoate-->2-(4-bromophenyl)-1,3,4-oxadiazole-->Ethyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate-->4,4'-Bis(hydroxymethyl)biphenyl-->Ethyl 4-etoxybenzoate-->1,1,1-Trifluoro-2-hexanone
Hazard InformationBack Directory
[Chemical Properties]

clear colorless to yellow liquid
[Uses]

Ethyl 4-bromobenzoate undergoes reduction with potassium diisobutyl-t-butoxyaluminum hydride (PDBBA) at 0°C to yield aldehydes. Reaction of ethyl 4-bromobenzoate and substituted benzyl chloride with zinc dust and a Pd catalyst is reported.
[Synthesis Reference(s)]

Synthetic Communications, 22, p. 1851, 1992 DOI: 10.1080/00397919208021316
Synthesis, p. 191, 1983
[General Description]

Ethyl 4-bromobenzoate is an ester having electron-withdrawing substituent. It undergoes reduction with potassium diisobutyl-t-butoxyaluminum hydride (PDBBA) at 0°C to yield aldehydes. Reaction of ethyl 4-bromobenzoate and substituted benzyl chloride with zinc dust and a Pd catalyst is reported.
Spectrum DetailBack Directory
[Spectrum Detail]

Ethyl 4-bromobenzoate(5798-75-4)MS
Ethyl 4-bromobenzoate(5798-75-4)1HNMR
Ethyl 4-bromobenzoate(5798-75-4)13CNMR
Ethyl 4-bromobenzoate(5798-75-4)IR1
Ethyl 4-bromobenzoate(5798-75-4)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

Ethyl 4-bromobenzoate, 99%(5798-75-4)
[Alfa Aesar]

Ethyl 4-bromobenzoate, 98+%(5798-75-4)
[Sigma Aldrich]

5798-75-4(sigmaaldrich)
[TCI AMERICA]

Ethyl 4-Bromobenzoate,>98.0%(GC)(5798-75-4)
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