CAS No.22802-39-7,2-bromo-4,5-dimethylphenol Suppliers

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Basic Information

Molecular Structure:
CAS No.:	22802-39-7
Name:	2-bromo-4,5-dimethylphenol
Article Data:	27

Formula:	C₈H₉BrO
Molecular Weight:	201.063
Synonyms:	3,4-Xylenol,6-bromo- (8CI);2-Bromo-4,5-dimethylphenol;6-Bromo-3,4-dimethylphenol;NSC96970;
Density:	1.471 g/cm³
Melting Point:	80 °C
Boiling Point:	244.5 °C at 760 mmHg
Flash Point:	101.6 °C
PSA:	20.23000
LogP:	2.77150

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Specification

The CAS register number of Phenol,2-bromo-4,5-dimethyl- is 22802-39-7. It also can be called as 6-Bromo-3,4-dimethylphenol and the IUPAC name about this chemical is 2-bromo-4,5-dimethylphenol. The molecular formula about this chemical is C₈H₉BrO and the molecular weight is 201.06286.

Physical properties about Phenol,2-bromo-4,5-dimethyl- are: (1)ACD/LogP: 3.39; (2)ACD/LogD (pH 5.5): 3.39; (3)ACD/LogD (pH 7.4): 3.38; (4)ACD/BCF (pH 5.5): 222.12; (5)ACD/BCF (pH 7.4): 214.73; (6)ACD/KOC (pH 5.5): 1664.31; (7)ACD/KOC (pH 7.4): 1608.98; (8)#H bond acceptors: 1; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 9.23 Å²; (12)Index of Refraction: 1.58; (13)Molar Refractivity: 45.47 cm³; (14)Molar Volume: 136.5 cm³; (15)Polarizability: 18.02x10^-24cm³; (16)Surface Tension: 42.1 dyne/cm; (17)Density: 1.471 g/cm³; (18)Flash Point: 101.6 °C; (19)Enthalpy of Vaporization: 50.1 kJ/mol; (20)Boiling Point: 244.5 °C at 760 mmHg; (21)Vapour Pressure: 0.0194 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc1cc(c(cc1O)C)C
(2)InChI: InChI=1/C8H9BrO/c1-5-3-7(9)8(10)4-6(5)2/h3-4,10H,1-2H3
(3)InChIKey: GJLPLXXEHFEMBL-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C8H9BrO/c1-5-3-7(9)8(10)4-6(5)2/h3-4,10H,1-2H3
(5)Std. InChIKey: GJLPLXXEHFEMBL-UHFFFAOYSA-N