Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
Phenol,4-bromo-2,3-dimethyl- |
EINECS | N/A |
CAS No. | 22802-37-5 | Density | 1.472 g/cm3 |
PSA | 20.23000 | LogP | 2.77150 |
Solubility | N/A | Melting Point |
N/A |
Formula | C8H9BrO | Boiling Point | 265.902 °C at 760 mmHg |
Molecular Weight | 201.063 | Flash Point | 114.614 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
2,3-Xylenol,4-bromo- (8CI);2,3-Dimethyl-4-bromophenol;4-Bromo-2,3-dimethylphenol;4-Bromo-2,3-xylenol; |
Article Data | 13 |
The Phenol,4-bromo-2,3-dimethyl-, with the CAS registry number 22802-37-5, is also known as 2,3-Dimethyl-4-bromophenol. This chemical's molecular formula is C8H9BrO and molecular weight is 201.06. What's more, its systematic name is 4-Bromo-2,3-dimethylphenol.
Physical properties of Phenol,4-bromo-2,3-dimethyl- are: (1)ACD/LogP: 3.44; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 230; (6)ACD/BCF (pH 7.4): 229; (7)ACD/KOC (pH 5.5): 1706; (8)ACD/KOC (pH 7.4): 1700; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 20.23 Å2; (13)Index of Refraction: 1.58; (14)Molar Refractivity: 45.474 cm3; (15)Molar Volume: 136.598 cm3; (16)Polarizability: 18.028×10-24 cm3; (17)Surface Tension: 42.159 dyne/cm; (18)Density: 1.472 g/cm3; (19)Flash Point: 114.614 °C; (20)Enthalpy of Vaporization: 52.416 kJ/mol; (21)Boiling Point: 265.902 °C at 760 mmHg; (22)Vapour Pressure: 0.005 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Cc1c(O)ccc(Br)c1C
(2)InChI: InChI=1/C8H9BrO/c1-5-6(2)8(10)4-3-7(5)9/h3-4,10H,1-2H3
(3)InChIKey: MOKFDXJOXUHQNO-UHFFFAOYSA-N