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69026-14-8

69026-14-8 Structure

69026-14-8 Structure
IdentificationBack Directory
[Name]

3-BENZYLOXYBENZOIC ACID
[CAS]

69026-14-8
[Synonyms]

NSC211422
STK163231
ARONIS013104
Oprea1_819438
Enamine_004835
enzyloxybenzoic acid
3-PhenylMethoxybenzoic acid
Benzoic acid,3-(phenylmethoxy)-
JR-13522, 3-(Benzyloxy)benzoic acid, 97%
[Molecular Formula]

C14H12O3
[MDL Number]

MFCD00527901
[MOL File]

69026-14-8.mol
[Molecular Weight]

228.25
[Chemical Properties]

Calcium fluoride, CaF2, also known as fluorite and feldspar, is a colorless solid composed of cubic crystals. It has a low water solubility, but is readily soluble in ammonium salt solutions. Calcium fluoride is used in the synthesis of hydrofluoric acid and in etching glass.
Calcium Fluoride is not hygroscopic and is relatively inert. It has a sufficiently high resistance to thermal and mechanical shock, and it is easily fabricated into a variety of detector geometries.
Calcium Fluoride has a very low vapor pressure, allowing it to be used in a wide variety of vacuum applications. It is insoluble in water and most organic solvents, permitting radioactive samples in solution to be placed in direct contact with the crystal.
Calcium Fluoride is a transparent material used for detecting γ-rays up to several hundred keV and for detecting charged particles. Because of its low atomic number, the material’s photofraction is relatively small which limits its use in γ-ray spectrometry at higher energies. However, the low atomic number makes Calcium Fluoride an ideal material for the detection of β-particles because of the small amount of backscattering.
Chemical PropertiesBack Directory
[Melting point ]

133-137 °C
[Boiling point ]

408.8±20.0 °C(Predicted)
[density ]

1.222±0.06 g/cm3(Predicted)
[storage temp. ]

Store at room temperature
[solubility ]

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

Solid
[pka]

4.05±0.10(Predicted)
[color ]

White
[Water Solubility ]

Insoluble in water.
[InChI]

1S/C14H12O3/c15-14(16)12-7-4-8-13(9-12)17-10-11-5-2-1-3-6-11/h1-9H,10H2,(H,15,16)
[InChIKey]

CISXCTKEQYOZAM-UHFFFAOYSA-N
[SMILES]

OC(=O)c1cccc(OCc2ccccc2)c1
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)Environment (GHS09)
GHS07,GHS09
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335-H400
[Precautionary statements ]

P273-P301+P312+P330-P302+P352-P305+P351+P338
[Hazard Codes ]

Xi,N
[Risk Statements ]

36/37/38-50/53
[Safety Statements ]

26-60-61
[RIDADR ]

UN 3077 9/PG 3
[WGK Germany ]

3
[HS Code ]

2916399090
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Oral
Aquatic Acute 1
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Hazard InformationBack Directory
[Uses]

3-Benzyloxybenzoic acid is used as a pharmaceutical intermediate.
[Purification Methods]

Recrystallise the acid from acetic acid (m 137-138o) [Kipping & Wren J Chem Soc 3246 1957, Beilstein 10 III 247, 10 IV 316.]
Spectrum DetailBack Directory
[Spectrum Detail]

3-BENZYLOXYBENZOIC ACID(69026-14-8)1HNMR
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