Benzoic acid,5-ethoxy-4-methoxy-2-nitro- supplier

Name
3-BENZYLOXY-4-METHOXY-6-NITRO-BENZOIC ACID
EINECS
CAS No. 61948-83-2
Density 1.352 g/cm³
Solubility
Melting Point 213-214 °C
Formula C₁₀H₁₁NO₆
Boiling Point 416.5 °C at 760 mmHg
Molecular Weight 241.2
Flash Point 205.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 5-Ethoxy-4-methoxy-2-nitrobenzoic acid;
PSA 101.58000
LogP 3.40380

Benzoic acid,5-ethoxy-4-methoxy-2-nitro- Specification

The Benzoic acid,5-ethoxy-4-methoxy-2-nitro- has the CAS registry number 61948-83-2. This chemical's molecular formula is C₁₀H₁₁NO₆ and molecular weight is 241.20. What's more, its systematic name is 5-Ethoxy-4-methoxy-2-nitrobenzoic acid.

Physical properties of Benzoic acid,5-ethoxy-4-methoxy-2-nitro- are: (1)ACD/LogP: 2.66; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 7; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 5; (10)Polar Surface Area: 90.58 Å²; (11)Index of Refraction: 1.56; (12)Molar Refractivity: 57.71 cm³; (13)Molar Volume: 178.3 cm³; (14)Polarizability: 22.88×10^-24cm³; (15)Surface Tension: 51.6 dyne/cm; (16)Density: 1.352 g/cm³; (17)Flash Point: 205.7 °C; (18)Enthalpy of Vaporization: 70.61 kJ/mol; (19)Boiling Point: 416.5 °C at 760 mmHg; (20)Vapour Pressure: 1.11E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c1cc(OC)c(OCC)cc1C(=O)O
(2)InChI: InChI=1/C10H11NO6/c1-3-17-9-4-6(10(12)13)7(11(14)15)5-8(9)16-2/h4-5H,3H2,1-2H3,(H,12,13)
(3)InChIKey: HVTHICJFQQKQDW-UHFFFAOYSA-N

Product Name

3-BENZYLOXY-4-METHOXY-6-NITRO-BENZOIC ACID

Benzoic acid,5-ethoxy-4-methoxy-2-nitro- Specification

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