ChemicalBook--->CAS DataBase List--->939-54-8

939-54-8

939-54-8 Structure

939-54-8 Structure
IdentificationMore
[Name]

2-Bromoethyl benzoate
[CAS]

939-54-8
[Synonyms]

2-BROMOETHYL BENZOATE
BENZOIC ACID 2-BROMOETHYL ESTER
BENZOIC ACID 2-BOMOETHYL ESTER
[Molecular Formula]

C9H9BrO2
[MDL Number]

MFCD00059462
[Molecular Weight]

229.07
[MOL File]

939-54-8.mol
Chemical PropertiesBack Directory
[Boiling point ]

157-159 °C/20 mmHg (lit.)
[density ]

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

n20/D 1.548(lit.)
[Fp ]

>230 °F
[storage temp. ]

Refrigerator, under inert atmosphere
[solubility ]

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

Oil
[color ]

Colourless to Dark Yellow
[Specific Gravity]

1.4451.46
[InChI]

InChI=1S/C9H9BrO2/c10-6-7-12-9(11)8-4-2-1-3-5-8/h1-5H,6-7H2
[InChIKey]

KNBBDZULQFKSIE-UHFFFAOYSA-N
[SMILES]

C(OC(=O)C1=CC=CC=C1)CBr
[CAS DataBase Reference]

939-54-8(CAS DataBase Reference)
[NIST Chemistry Reference]

Benzoic acid 2-bromoethyl ester(939-54-8)
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 .
S37/39:Wear suitable gloves and eye/face protection .
[WGK Germany ]

3
[HS Code ]

29163100
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Hazard InformationBack Directory
[Uses]

2-Bromoethyl benzoate may be used in chemical synthesis.
[Synthesis Reference(s)]

The Journal of Organic Chemistry, 44, p. 3082, 1979 DOI: 10.1021/jo01331a027
[General Description]

2-Bromoethyl benzoate is an ester.
Spectrum DetailBack Directory
[Spectrum Detail]

2-Bromoethyl benzoate(939-54-8)MS
2-Bromoethyl benzoate(939-54-8)1HNMR
2-Bromoethyl benzoate(939-54-8)13CNMR
2-Bromoethyl benzoate(939-54-8)IR1
2-Bromoethyl benzoate(939-54-8)Raman
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

939-54-8(sigmaaldrich)
[TCI AMERICA]

Benzoic Acid 2-Bromoethyl Ester,>98.0%(GC)(939-54-8)
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