Methyl 2-methoxy-5-nitrobenzoate supplier

Name
Methyl 2-methoxy-5-nitrobenzoate
EINECS
CAS No. 34841-11-7
Article Data34
CAS DataBase
Density 1.294 g/cm³
Solubility
Melting Point 99-102 °C
Formula C₉H₉NO₅
Boiling Point 350.7 °C at 760 mmHg
Molecular Weight 211.174
Flash Point 168.3 °C
Transport Information
Appearance
Safety
Risk Codes R34
Molecular Structure
Hazard Symbols Xi
Synonyms Methyl 5-nitro-o-anisate;2-Methoxy-5-nitrobenzoic acid methyl ester;
PSA 81.35000
LogP 1.91320

Methyl 2-methoxy-5-nitrobenzoate Specification

The Methyl 2-methoxy-5-nitrobenzoate, with the CAS registry number of 34841-11-7, is also known as Methyl 5-nitro-o-anisate and 2-Methoxy-5-nitrobenzoic acid methyl ester. It belongs to the product categories of Aromatic Esters; Acids & Esters; Anisoles, Alkyloxy Compounds & Phenylacetates; Nitro Compounds. This chemical's molecular formula is C₉H₉NO₅ and molecular weight is 211.17. In addition, it must be stored in airtight containers and placed in a dry, cool, well-ventilated place. Meanwhile, it should avoid contact with oxidant.

Physical properties about Methyl 2-methoxy-5-nitrobenzoate are: (1)ACD/LogP: 1.83; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.83; (4)ACD/LogD (pH 7.4): 1.83; (5)ACD/BCF (pH 5.5): 14.49; (6)ACD/BCF (pH 7.4): 14.49; (7)ACD/KOC (pH 5.5): 235.89; (8)ACD/KOC (pH 7.4): 235.89; (9)#H bond acceptors: 6; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 81.35 Å²; (13)Index of Refraction: 1.54; (14)Molar Refractivity: 51.25 cm³; (15)Molar Volume: 163.1 cm³; (16)Polarizability: 20.31×10^-24 cm³; (17)Surface Tension: 45.7 dyne/cm; (18)Density: 1.294 g/cm³; (19)Flash Point: 168.3 °C; (20)Enthalpy of Vaporization: 59.54 kJ/mol; (21)Boiling Point: 350.7 °C at 760 mmHg; (22)Vapour Pressure: 4.3E-05 mmHg at 25°C; (23)Melting Point: 99-102 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: [O-][N+](=O)c1ccc(OC)c(C(=O)OC)c1
(2) InChI: InChI=1/C9H9NO5/c1-14-8-4-3-6(10(12)13)5-7(8)9(11)15-2/h3-5H,1-2H3
(3) InChIKey: DOBFJVVTBNTGCW-UHFFFAOYAV

Product Name

Methyl 2-methoxy-5-nitrobenzoate

Methyl 2-methoxy-5-nitrobenzoate Specification

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