Methyl 3-(bromomethyl)-2-nitro-benzoate supplier

Name
methyl 3-(bromomethyl)-2-nitrobenzoate
EINECS
CAS No. 132874-06-7
Article Data18
CAS DataBase
Density 1.625 g/cm³
Solubility
Melting Point
Formula C₉H₈BrNO₄
Boiling Point 349.785 °C at 760 mmHg
Molecular Weight 274.071
Flash Point 165.345 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-Bromomethyl-2-nitrobenzoic acid methyl ester;Methyl 3-(bromomethyl)-2-nitrobenzoate;
PSA
LogP

Methyl 3-(bromomethyl)-2-nitro-benzoate Specification

The Methyl 3-(bromomethyl)-2-nitro-benzoate, with the CAS registry number 132874-06-7, is also known as 3-Bromomethyl-2-nitrobenzoic acid methyl ester. This chemical's molecular formula is C₉H₈BrNO₄ and molecular weight is 274.07. What's more, its systematic name is Methyl 3-(bromomethyl)-2-nitro-benzoate.

Physical properties of Methyl 3-(bromomethyl)-2-nitro-benzoate are: (1)ACD/LogP: 2.877; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.88; (4)ACD/LogD (pH 7.4): 2.88; (5)ACD/BCF (pH 5.5): 90.54; (6)ACD/BCF (pH 7.4): 90.54; (7)ACD/KOC (pH 5.5): 875.59; (8)ACD/KOC (pH 7.4): 875.59; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 72.12 Å²; (13)Index of Refraction: 1.594; (14)Molar Refractivity: 57.22 cm³; (15)Molar Volume: 168.66 cm³; (16)Polarizability: 22.684×10^-24cm³; (17)Surface Tension: 53.7 dyne/cm; (18)Density: 1.625 g/cm³; (19)Flash Point: 165.345 °C; (20)Enthalpy of Vaporization: 59.431 kJ/mol; (21)Boiling Point: 349.785 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: BrCc1cccc(c1N(=O)=O)C(=O)OC
(2)Std. InChI: InChI=1S/C9H8BrNO4/c1-15-9(12)7-4-2-3-6(5-10)8(7)11(13)14/h2-4H,5H2,1H3
(3)Std. InChIKey: GBBIAIKDRXKCQO-UHFFFAOYSA-N

Product Name

methyl 3-(bromomethyl)-2-nitrobenzoate

Methyl 3-(bromomethyl)-2-nitro-benzoate Specification

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