CAS No.13979-81-2,3,5-DIBROMO-4-METHYLPHENOL Suppliers

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Basic Information

Molecular Structure:
CAS No.:	13979-81-2
Name:	3,5-DIBROMO-4-METHYLPHENOL

Formula:	C₇H₆Br₂O
Molecular Weight:	265.932
Synonyms:	p-Cresol,3,5-dibromo- (8CI);3,5-Dibromo-4-methylphenol;3,5-Dibromo-p-cresol;
EINECS:	237-763-6
Density:	1.948 g/cm³
Melting Point:	237-763-6
Boiling Point:	293.1 °C at 760 mmHg
Flash Point:	131.1 °C
Hazard Symbols:	R36/37/38:Irritating to eyes, respiratory system and skin.;
Risk Codes:	36/37/38
Safety:	26-36
PSA:	20.23000
LogP:	3.22560

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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