Products Categories
CAS No.: | 40757-20-8 |
---|---|
Name: | METHYL 4-METHOXY-3-NITROBENZOATE |
Molecular Structure: | |
Formula: | C9H9NO5 |
Molecular Weight: | 211.174 |
Synonyms: | Methyl 4-methoxy-3-nitrobenzoate;4-Methoxy-3-nitrobenzoic acid methyl ester;3-Nitro-4-methoxybenzoic acid methyl ester; |
Density: | 1.294 g/cm3 |
Melting Point: | 108-110 °C |
Boiling Point: | 350.7 °C at 760 mmHg |
Flash Point: | 168.3 °C |
Appearance: | crystals |
Hazard Symbols: | Xi |
Safety: | 22-24/25 |
PSA: | 81.35000 |
LogP: | 1.91320 |
What can I do for you?
Get Best Price
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