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Name |
5-Bromo-2-methylphenol |
EINECS | 639-342-6 |
CAS No. | 36138-76-8 | Density | 1.554 g/cm3 |
PSA | 20.23000 | LogP | 2.46310 |
Solubility | N/A | Melting Point |
76-78°C |
Formula | C7H7BrO | Boiling Point | 241.8 °C at 760 mmHg |
Molecular Weight | 187.036 | Flash Point | 100.1 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 26-36/37/39 | Risk Codes | 36/37/38 |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
o-Cresol,5-bromo- (6CI);3-Bromo-6-methylphenol;4-Bromo-2-hydroxytoluene;5-Bromo-2-methylphenol; |
Article Data | 10 |
The Phenol,5-bromo-2-methyl-, with the CAS registry number 36138-76-8, has the systematic name of 5-bromo-2-methylphenol. It belongs to the product category of Aromatic Phenols. And the molecular formula of the chemical is C7H7BrO. What's more, while dealing with this chemical, you should not breathe dust and then try to avoid contacting with skin and eyes.
The characteristics of Phenol,5-bromo-2-methyl- are as followings: (1)ACD/LogP: 3.09; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.09; (4)ACD/LogD (pH 7.4): 3.09; (5)ACD/BCF (pH 5.5): 131.34; (6)ACD/BCF (pH 7.4): 129.9; (7)ACD/KOC (pH 5.5): 1142.72; (8)ACD/KOC (pH 7.4): 1130.19; (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: 1.59; (14)Molar Refractivity: 40.64 cm3; (15)Molar Volume: 120.3 cm3; (16)Polarizability: 16.11×10-24cm3; (17)Surface Tension: 44.3 dyne/cm; (18)Density: 1.554 g/cm3; (19)Flash Point: 100.1 °C; (20)Enthalpy of Vaporization: 49.82 kJ/mol; (21)Boiling Point: 241.8 °C at 760 mmHg; (22)Vapour Pressure: 0.0226 mmHg at 25°C.
You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Oc1cc(Br)ccc1C
(2)InChI: InChI=1/C7H7BrO/c1-5-2-3-6(8)4-7(5)9/h2-4,9H,1H3
(3)InChIKey: OONJCAWRVJDVBB-UHFFFAOYAU