Phenol,3-bromo-4-methyl- supplier

Name
3-BROMO-4-METHYLPHENOL
EINECS
CAS No. 60710-39-6
Article Data18
CAS DataBase
Density 1.554 g/cm³
Solubility Slightly soluble in water.
Melting Point 54-57°C
Formula C₇H₇BrO
Boiling Point 244.6 °C at 760 mmHg
Molecular Weight 187.036
Flash Point 101.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Bromo-4-hydroxytoluene;3-Bromo-4-methylphenol;
PSA 20.23000
LogP 2.46310

Phenol,3-bromo-4-methyl- Specification

The Phenol,3-bromo-4-methyl-, with CAS registry number 60710-39-6, has the systematic name of 3-bromo-4-methylphenol. And the chemical formula of this chemical is C₇H₇BrO. Its molecular weight is 187.03.

Physical properties of Phenol,3-bromo-4-methyl-: (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): 3.08; (5)ACD/BCF (pH 5.5): 131.34; (6)ACD/BCF (pH 7.4): 129.74; (7)ACD/KOC (pH 5.5): 1142.7; (8)ACD/KOC (pH 7.4): 1128.8; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 9.23 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: 101.7 °C; (20)Enthalpy of Vaporization: 50.12 kJ/mol; (21)Boiling Point: 244.6 °C at 760 mmHg; (22)Vapour Pressure: 0.0193 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc1cc(O)ccc1C
(2)InChI: InChI=1/C7H7BrO/c1-5-2-3-6(9)4-7(5)8/h2-4,9H,1H3
(3)InChIKey: GMZKNRDHSHYMHG-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C7H7BrO/c1-5-2-3-6(9)4-7(5)8/h2-4,9H,1H3
(5)Std. InChIKey: GMZKNRDHSHYMHG-UHFFFAOYSA-N

Product Name

3-BROMO-4-METHYLPHENOL

Phenol,3-bromo-4-methyl- Specification

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