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3,5-Dibromo-4-methylphenol

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Name

3,5-Dibromo-4-methylphenol

EINECS 237-763-6
CAS No. 13979-81-2 Density 1.948 g/cm3
PSA 20.23000 LogP 3.22560
Solubility N/A Melting Point 237-763-6
Formula C7H6Br2O Boiling Point 293.1 °C at 760 mmHg
Molecular Weight 265.932 Flash Point 131.1 °C
Transport Information N/A Appearance N/A
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 13979-81-2 (3,5-DIBROMO-4-METHYLPHENOL) Hazard Symbols R36/37/38:Irritating to eyes, respiratory system and skin.;
Synonyms

p-Cresol,3,5-dibromo- (8CI);3,5-Dibromo-4-methylphenol;3,5-Dibromo-p-cresol;

 

3,5-Dibromo-4-methylphenol Specification

The CAS register number of 3,5-Dibromo-4-methylphenol is 13979-81-2. It also can be called as 3,5-Dibromo-p-cresol and the IUPAC name about this chemical is 3,5-dibromo-4-methylphenol.

Physical properties about 3,5-Dibromo-4-methylphenol are: (1)ACD/LogP: 4.19; (2)ACD/LogD (pH 5.5): 4.19; (3)ACD/LogD (pH 7.4): 4.15; (4)ACD/BCF (pH 5.5): 901.42; (5)ACD/BCF (pH 7.4): 813.59; (6)ACD/KOC (pH 5.5): 4534.88; (7)ACD/KOC (pH 7.4): 4093.03; (8)#H bond acceptors: 1; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 9.23Å2; (12)Index of Refraction: 1.626; (13)Molar Refractivity: 48.33 cm3; (14)Molar Volume: 136.5 cm3; (15)Polarizability: 19.16x10-24cm3; (16)Surface Tension: 48.8 dyne/cm; (17)Enthalpy of Vaporization: 55.4 kJ/mol; (18)Boiling Point: 293.1 °C at 760 mmHg; (19)Vapour Pressure: 0.00101 mmHg at 25°C.

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: Brc1cc(O)cc(Br)c1C
(2)InChI: InChI=1/C7H6Br2O/c1-4-6(8)2-5(10)3-7(4)9/h2-3,10H,1H3
(3)InChIKey: AXCQKKVGMZCWPC-UHFFFAOYAJ
(4)Std. InChI: InChI=1S/C7H6Br2O/c1-4-6(8)2-5(10)3-7(4)9/h2-3,10H,1H3
(5)Std. InChIKey: AXCQKKVGMZCWPC-UHFFFAOYSA-N

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