Methyl 3-hydroxy-2-nitrobenzoate supplier

Name
Methyl 3-hydroxy-2-nitrobenzoate
EINECS
CAS No. 89942-77-8
Article Data14
CAS DataBase
Density 1.433 g/cm³
Solubility
Melting Point 108-110℃
Formula C₈H₇NO₅
Boiling Point 309.958 °C at 760 mmHg
Molecular Weight 197.147
Flash Point 141.258 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Benzoic acid, 3-hydroxy-2-nitro-, methyl ester;
PSA 92.35000
LogP 1.61020

Methyl 3-hydroxy-2-nitrobenzoate Specification

The Methyl 3-hydroxy-2-nitrobenzoate, with the CAS registry number 89942-77-8, is also known as Benzoic acid, 3-hydroxy-2-nitro-, methyl ester. It belongs to the product category of Aromatic Esters. This chemical's molecular formula is C₈H₇NO₅ and molecular weight is 197.03. What's more, its IUPAC name is the same with its product name.

Physical properties about Methyl 3-hydroxy-2-nitrobenzoate are: (1)ACD/LogP: 1.847; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.79; (4)ACD/LogD (pH 7.4): 0.79; (5)ACD/BCF (pH 5.5): 13.17; (6)ACD/BCF (pH 7.4): 1.30; (7)ACD/KOC (pH 5.5): 212.55; (8)ACD/KOC (pH 7.4): 20.95; (9)#H bond acceptors: 6; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 92.35 Å²; (13)Index of Refraction: 1.59; (14)Molar Refractivity: 46.453 cm³; (15)Molar Volume: 137.598 cm³; (16)Polarizability: 18.415×10^-24 cm³; (17)Surface Tension: 59.79 dyne/cm; (18)Density: 1.433 g/cm³; (19)Flash Point: 141.258 °C; (20)Enthalpy of Vaporization: 57.273 kJ/mol; (21)Boiling Point: 309.958 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=N(=O)c1c(cccc1O)C(=O)OC
(2) InChI: InChI=1S/C8H7NO5/c1-14-8(11)5-3-2-4-6(10)7(5)9(12)13/h2-4,10H,1H3
(3) InChIKey: FHCNMPYMCKHBTK-UHFFFAOYSA-N

Product Name

Methyl 3-hydroxy-2-nitrobenzoate

Methyl 3-hydroxy-2-nitrobenzoate Specification

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