Benzoic acid, 4-methoxy-3-nitro-, methyl ester supplier

Name
METHYL 4-METHOXY-3-NITROBENZOATE
EINECS
CAS No. 40757-20-8
Density 1.294 g/cm³
Solubility
Melting Point 108-110 °C
Formula C₉H₉NO₅
Boiling Point 350.7 °C at 760 mmHg
Molecular Weight 211.174
Flash Point 168.3 °C
Transport Information
Appearance crystals
Safety 22-24/25
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms Methyl 4-methoxy-3-nitrobenzoate;4-Methoxy-3-nitrobenzoic acid methyl ester;3-Nitro-4-methoxybenzoic acid methyl ester;
PSA 81.35000
LogP 1.91320

Benzoic acid, 4-methoxy-3-nitro-, methyl ester Specification

The Benzoic acid, 4-methoxy-3-nitro-, methyl ester, with the CAS registry number 40757-20-8, is also known as 3-Nitro-4-methoxybenzoic acid methyl ester. It belongs to the product category of Aromatic Esters. This chemical's molecular formula is C₉H₉NO₅ and molecular weight is 211.17. What's more, its systematic name is methyl 4-methoxy-3-nitrobenzoate. It should be sealed and stored in a cool and dry place. You should not breathe dust. When using it, you must avoid contact with skin and eyes.

Physical properties of Benzoic acid, 4-methoxy-3-nitro-, methyl ester are: (1)ACD/LogP: 1.76; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.76; (4)ACD/LogD (pH 7.4): 1.76; (5)ACD/BCF (pH 5.5): 12.79; (6)ACD/BCF (pH 7.4): 12.79; (7)ACD/KOC (pH 5.5): 215.73; (8)ACD/KOC (pH 7.4): 215.73; (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^-24cm³; (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.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: COC1=C(C=C(C=C1)C(=O)OC)[N+](=O)[O-]
(2)InChI: InChI=1S/C9H9NO5/c1-14-8-4-3-6(9(11)15-2)5-7(8)10(12)13/h3-5H,1-2H3
(3)InChIKey: ZUZYMTBOKNSYEB-UHFFFAOYSA-N

Product Name

METHYL 4-METHOXY-3-NITROBENZOATE

Benzoic acid, 4-methoxy-3-nitro-, methyl ester Specification

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