5-Benzyloxy-2-bromotoluene supplier

Name
5-BENZYLOXY-2-BROMOTOLUENE
EINECS
CAS No. 17671-75-9
Article Data12
CAS DataBase
Density 1.342 g/cm³
Solubility
Melting Point 69-70.5 °C
Formula C₁₄H₁₃BrO
Boiling Point 360.904 °C at 760 mmHg
Molecular Weight 277.161
Flash Point 146.654 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Ether,benzyl 4-bromo-m-tolyl (8CI);4-Benzyloxy-1-bromo-2-methylbenzene;4-Bromo-3-methyl-1-(benzyloxy)benzene;4-Bromo-3-methylphenyl benzyl ether;Benzyl 4-bromo-3-methylphenyl ether;
PSA 9.23000
LogP 4.33650

5-Benzyloxy-2-bromotoluene Specification

The Benzene,1-bromo-2-methyl-4-(phenylmethoxy)-, with CAS registry number 17671-75-9, belongs to the following product categories: (1)Aromatic Hydrocarbons (substituted) & Derivatives; (2)Anisoles, Alkyloxy Compounds & Phenylacetates; (3)Bromine Compounds. It has the systematic name of 4-(benzyloxy)-1-bromo-2-methylbenzene.

Physical properties of Benzene,1-bromo-2-methyl-4-(phenylmethoxy)-: (1)ACD/LogP: 5.28; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.28; (4)ACD/LogD (pH 7.4): 5.28; (5)ACD/BCF (pH 5.5): 6073.23; (6)ACD/BCF (pH 7.4): 6073.23; (7)ACD/KOC (pH 5.5): 17773.11; (8)ACD/KOC (pH 7.4): 17773.11; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 9.23 Å²; (13)Index of Refraction: 1.592; (14)Molar Refractivity: 69.93 cm³; (15)Molar Volume: 206.5 cm³; (16)Polarizability: 27.72×10^-24cm³; (17)Surface Tension: 41.4 dyne/cm; (18)Enthalpy of Vaporization: 58.28 kJ/mol; (19)Vapour Pressure: 4.47E-05 mmHg at 25°C.

Preparation: this chemical can be prepared by bromomethyl-benzene and 4-bromo-3-methyl-phenol. This reaction will need reagent K₂CO₃ and solvent acetone. The reaction time is 8 hour(s). The yield is about 77%.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc2ccc(OCc1ccccc1)cc2C
(2)InChI: InChI=1/C14H13BrO/c1-11-9-13(7-8-14(11)15)16-10-12-5-3-2-4-6-12/h2-9H,10H2,1H3
(3)InChIKey: KOLLVAZFQFRSHI-UHFFFAOYAX
(4)Std. InChI: InChI=1S/C14H13BrO/c1-11-9-13(7-8-14(11)15)16-10-12-5-3-2-4-6-12/h2-9H,10H2,1H3
(5)Std. InChIKey: KOLLVAZFQFRSHI-UHFFFAOYSA-N

Product Name

5-BENZYLOXY-2-BROMOTOLUENE

5-Benzyloxy-2-bromotoluene Specification

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