Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
Phenol,2-bromo-4,5-dimethyl- |
EINECS | N/A |
CAS No. | 22802-39-7 | Density | 1.471 g/cm3 |
PSA | 20.23000 | LogP | 2.77150 |
Solubility | N/A | Melting Point |
80 °C |
Formula | C8H9BrO | Boiling Point | 244.5 °C at 760 mmHg |
Molecular Weight | 201.063 | Flash Point | 101.6 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
3,4-Xylenol,6-bromo- (8CI);2-Bromo-4,5-dimethylphenol;6-Bromo-3,4-dimethylphenol;NSC96970; |
Article Data | 27 |
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