CAS No.2444-19-1,4-HYDROXYPHENYL BENZOATE Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	2444-19-1
Name:	4-HYDROXYPHENYL BENZOATE
Article Data:	38

Formula:	C₁₃H₁₀O₃
Molecular Weight:	214.221
Synonyms:	1,4-Benzenediol,monobenzoate (9CI);Hydroquinone, benzoate (6CI,7CI);Hydroquinone, benzoate(mono-) (5CI);Hydroquinone, monobenzoate (8CI);4-(Benzoyloxy)phenol;4-Hydroxyphenyl benzoate;NSC 48470;p-Hydroquinone monobenzoate;p-Hydroxyphenyl benzoate;
EINECS:	219-479-4
Density:	1.25 g/cm³
Melting Point:	164-165 °C
Boiling Point:	376.6 °C at 760 mmHg
Flash Point:	164.7 °C
Hazard Symbols:	R36/37/38:Irritating to eyes, respiratory system and skin.;
Risk Codes:	36/37/38
Safety:	26-36
PSA:	46.53000
LogP:	2.61140

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Specification

The 1,4-Benzenediol,1-benzoate is an organic compound with the formula C₁₃H₁₀O₃. The IUPAC name of this chemical is (4-hydroxyphenyl) benzoate. With the CAS registry number 2444-19-1, it is also named as 1,4-Diphenol, 1-benzoate. The product's category is Aromatic Esters. Besides, it should be stored in a closed cool and dry place.

Physical properties about 1,4-Benzenediol,1-benzoate are: (1)ACD/LogP: 2.77; (2)ACD/LogD (pH 5.5): 2.77; (3)ACD/LogD (pH 7.4): 2.76; (4)ACD/BCF (pH 5.5): 74.45; (5)ACD/BCF (pH 7.4): 73.98; (6)ACD/KOC (pH 5.5): 761.19; (7)ACD/KOC (pH 7.4): 756.39; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 35.53 Å²; (12)Index of Refraction: 1.615; (13)Molar Refractivity: 59.77 cm³; (14)Molar Volume: 171.2 cm³; (15)Polarizability: 23.69×10^-24cm³; (16)Surface Tension: 51.8 dyne/cm; (17)Density: 1.25 g/cm³; (18)Flash Point: 164.7 °C; (19)Enthalpy of Vaporization: 64.88 kJ/mol; (20)Boiling Point: 376.6 °C at 760 mmHg; (21)Vapour Pressure: 3.3E-06 mmHg at 25°C.

Preparation: this chemical can be prepared by (4-Benzoyloxy-phenyl)-benzyl-aether. This reaction will need reagent H₂, catalyst Pd-C and solvent ethanol.

Uses of 1,4-Benzenediol,1-benzoate: it can be used to produce 2-chloro-4-(benzoyloxy)phenol at ambient temperature. It will need reagent SO₂Cl₂ and solvent CHCl₃. The yield is about 59.2%.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(Oc1ccc(O)cc1)c2ccccc2
(2)InChI: InChI=1/C13H10O3/c14-11-6-8-12(9-7-11)16-13(15)10-4-2-1-3-5-10/h1-9,14H
(3)InChIKey: JFAXJRJMFOACBO-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C13H10O3/c14-11-6-8-12(9-7-11)16-13(15)10-4-2-1-3-5-10/h1-9,14H
(5)Std. InChIKey: JFAXJRJMFOACBO-UHFFFAOYSA-N