Methyl 3-bromo-2-methyl-5-nitrobenzoate supplier

Name
Methyl 3-bromo-2-methyl-5-nitrobenzoate
EINECS
CAS No. 885519-05-1
Article Data5
CAS DataBase
Density 1.597 g/cm³
Solubility
Melting Point
Formula C₉H₈BrNO₄
Boiling Point 344.822 °C at 760 mmHg
Molecular Weight 274.071
Flash Point 162.343 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-Bromo-2-methyl-5-nitromethyl benzoate;methyl3-bromo-2-methyl-5-nitrobenzoate;
PSA 72.12000
LogP 2.97550

Methyl 3-bromo-2-methyl-5-nitrobenzoate Specification

The Methyl 3-bromo-2-methyl-5-nitrobenzoate is an organic compound with the formula C₉H₈BrNO₄. With the CAS registry number 885519-05-1, the systematic name of this chemical is methyl 3-bromo-2-methyl-5-nitrobenzoate.

Physical properties about Methyl 3-bromo-2-methyl-5-nitrobenzoate are: (1)ACD/LogP: 2.83; (2)ACD/LogD (pH 5.5): 3; (3)ACD/LogD (pH 7.4): 3; (4)ACD/BCF (pH 5.5): 74; (5)ACD/BCF (pH 7.4): 74; (6)ACD/KOC (pH 5.5): 760; (7)ACD/KOC (pH 7.4): 760; (8)#H bond acceptors: 5; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 72.12 Å²; (11)Index of Refraction: 1.58; (12)Molar Refractivity: 57.087 cm³; (13)Molar Volume: 171.628 cm³; (14)Polarizability: 22.631×10^-24cm³; (15)Surface Tension: 49.721 dyne/cm; (16)Density: 1.597 g/cm³; (17)Flash Point: 162.343 °C; (18)Enthalpy of Vaporization: 58.883 kJ/mol; (19)Boiling Point: 344.822 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: Cc1c(cc(cc1Br)N(=O)=O)C(=O)OC
(2)InChI: InChI=1/C9H8BrNO4/c1-5-7(9(12)15-2)3-6(11(13)14)4-8(5)10/h3-4H,1-2H3
(3)InChIKey: KHYSOGYKNCNXIS-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C9H8BrNO4/c1-5-7(9(12)15-2)3-6(11(13)14)4-8(5)10/h3-4H,1-2H3
(5)Std. InChIKey: KHYSOGYKNCNXIS-UHFFFAOYSA-N

Product Name

Methyl 3-bromo-2-methyl-5-nitrobenzoate

Methyl 3-bromo-2-methyl-5-nitrobenzoate Specification

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