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5-Bromo-2-methylphenol

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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 Molecular Structure of 36138-76-8 (5-Bromo-2-methylphenol) Hazard Symbols IrritantXi
Synonyms

o-Cresol,5-bromo- (6CI);3-Bromo-6-methylphenol;4-Bromo-2-hydroxytoluene;5-Bromo-2-methylphenol;

Article Data 10

5-Bromo-2-methylphenol Specification

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

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