Methyl 5-bromo-2-methoxy-3-methylbenzoate supplier

Name
METHYL 5-BROMO-2-METHOXY-3-METHYLBENZENECARBOXYLATE
EINECS
CAS No. 722497-32-7
Article Data5
CAS DataBase
Density 1.409 g/cm³
Solubility
Melting Point 60-62 °C
Formula C₁₀H₁₁BrO₃
Boiling Point 313.9 °C at 760 mmHg
Molecular Weight 259.1
Flash Point 143.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Methyl5-Bromo-2-methoxy-3-methylbenzoate;
PSA 35.53000
LogP 2.55270

Methyl 5-bromo-2-methoxy-3-methylbenzoate Specification

The systematic name of Methyl 5-bromo-2-methoxy-3-methylbenzoate is methyl 5-bromo-2-methoxy-3-methylbenzoate. With the CAS registry number 722497-32-7, it is also named as Benzoic acid,5-bromo-2-methoxy-3-methyl-, methyl ester. The product is irritant. Moreover, its molecular formula is C₁₀H₁₁BrO₃ and its molecular weight is 259.10.

The other characteristics of Methyl 5-bromo-2-methoxy-3-methylbenzoate can be summarized as: (1)ACD/LogP: 3.44; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.44; (4)ACD/LogD (pH 7.4): 3.44; (5)ACD/BCF (pH 5.5): 243.49; (6)ACD/BCF (pH 7.4): 243.49; (7)ACD/KOC (pH 5.5): 1777.68; (8)ACD/KOC (pH 7.4): 1777.68; (9)H bond acceptors: 3; (10)H bond donors: 0; (11)Freely Rotating Bonds: 3; (12)Polar Surface Area: 35.53 2; (13)Index of Refraction: 1.535; (14)Molar Refractivity: 57.21 cm³; (15)Molar Volume: 183.7 cm³; (16)Polarizability: 22.68×10^-24cm³; (17)Surface Tension: 38.2 dyne/cm; (18)Density: 1.409 g/cm³; (19)Flash Point: 143.7 °C; (20)Melting Point: 60-62 °C; (21)Enthalpy of Vaporization: 55.51 kJ/mol; (22)Boiling Point: 313.9 °C at 760 mmHg; (23)Vapour Pressure: 0.000481 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
SMILES:Brc1cc(c(OC)c(c1)C)C(=O)OC
InChI:InChI=1/C10H11BrO3/c1-6-4-7(11)5-8(9(6)13-2)10(12)14-3/h4-5H,1-3H3
InChIKey:VZOOZLRJMORZTC-UHFFFAOYAW
Std. InChI:InChI=1S/C10H11BrO3/c1-6-4-7(11)5-8(9(6)13-2)10(12)14-3/h4-5H,1-3H3
Std. InChIKey:VZOOZLRJMORZTC-UHFFFAOYSA-N

Product Name

METHYL 5-BROMO-2-METHOXY-3-METHYLBENZENECARBOXYLATE

Methyl 5-bromo-2-methoxy-3-methylbenzoate Specification

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