Benzoicacid, 2-bromo-5-cyano-, methyl ester supplier

Name
Methyl 2-bromo-5-cyanobenzoate
EINECS
CAS No. 1031927-03-3
Density 1.6 g/cm³
Solubility
Melting Point
Formula C₉H₆BrNO₂
Boiling Point 307.2 °C at 760 mmHg
Molecular Weight 240.056
Flash Point 139.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Methyl 2-bromo-5-cyanobenzoate;4-Bromo-3-(methoxycarbonyl)benzonitrile;2-broMo-5-cyanobenzoic acid Methyl ester;Benzoic acid, 2-bromo-5-cyano-, methyl ester
PSA 50.09000
LogP 2.10738

Benzoicacid, 2-bromo-5-cyano-, methyl ester Specification

The Benzoicacid, 2-bromo-5-cyano-, methyl ester, with the CAS registry number 1031927-03-3. This chemical's molecular formula is C₉H₆BrNO₂ and molecular weight is 240.05. What's more, its systematic name is methyl 2-bromo-5-cyano-benzoate.

Physical properties of Benzoicacid, 2-bromo-5-cyano-, methyl ester are: (1)ACD/LogP: 2.16; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.16; (4)ACD/LogD (pH 7.4): 2.16; (5)#H bond acceptors: 3; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 2; (8)Polar Surface Area: 50.09 Å²; (9)Index of Refraction: 1.586; (10)Molar Refractivity: 50.15 cm³; (11)Molar Volume: 149.2 cm³; (12)Polarizability: 19.88×10^-24 cm³; (13)Surface Tension: 55.8 dyne/cm; (14)Density: 1.6 g/cm³; (15)Flash Point: 139.6 °C; (16)Enthalpy of Vaporization: 54.78 kJ/mol; (17)Boiling Point: 307.2 °C at 760 mmHg; (18)Vapour Pressure: 0.000734 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: COC(=O)c1cc(ccc1Br)C#N
(2)InChI: InChI=1/C9H6BrNO2/c1-13-9(12)7-4-6(5-11)2-3-8(7)10/h2-4H,1H3
(3)InChIKey: SILKGSBMCDUFGF-UHFFFAOYAI

Product Name

Methyl 2-bromo-5-cyanobenzoate

Benzoicacid, 2-bromo-5-cyano-, methyl ester Specification

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