Benzoicacid, 3-bromo-2,6-dimethoxy-, methyl ester supplier

Name
Methyl ester 3-broMo-2,6-diMethoxy-Benzoicacid
EINECS
CAS No. 65977-12-0
Density 1.436 g/cm³
Solubility
Melting Point
Formula C₁₀H₁₁BrO₄
Boiling Point 340.658 °C at 760 mmHg
Molecular Weight 275.099
Flash Point 159.824 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Methyl 3-bromo-2,6-dimethoxybenzoate;
PSA 44.76000
LogP 2.25290

Benzoicacid, 3-bromo-2,6-dimethoxy-, methyl ester Specification

The Benzoicacid, 3-bromo-2,6-dimethoxy-, methyl ester has the CAS registry number 65977-12-0. This chemical's molecular formula is C₁₀H₁₁BrO₄ and molecular weight is 275.10. What's more, its systematic name is Methyl 3-bromo-2,6-dimethoxybenzoate.

Physical properties of Benzoicacid, 3-bromo-2,6-dimethoxy-, methyl ester are: (1)ACD/LogP: 1.23; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 47; (6)ACD/BCF (pH 7.4): 47; (7)ACD/KOC (pH 5.5): 551; (8)ACD/KOC (pH 7.4): 551; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 44.76 Å²; (13)Index of Refraction: 1.529; (14)Molar Refractivity: 59.073 cm³; (15)Molar Volume: 191.516 cm³; (16)Polarizability: 23.418×10^-24cm³; (17)Surface Tension: 38.147 dyne/cm; (18)Density: 1.436 g/cm³; (19)Flash Point: 159.824 °C; (20)Enthalpy of Vaporization: 58.423 kJ/mol; (21)Boiling Point: 340.658 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: COc1c(c(ccc1Br)OC)C(=O)OC
(2)InChI: InChI=1/C10H11BrO4/c1-13-7-5-4-6(11)9(14-2)8(7)10(12)15-3/h4-5H,1-3H3ed
(3)InChIKey: IYVSXIFYVRNTDY-UHFFFAOYSA-N

Product Name

Methyl ester 3-broMo-2,6-diMethoxy-Benzoicacid

Benzoicacid, 3-bromo-2,6-dimethoxy-, methyl ester Specification

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