Benzoicacid, 2-methoxy-3-nitro- supplier

Name
2-METHOXY-3-NITROBENZOIC ACID
EINECS
CAS No. 40751-88-0
Article Data24
CAS DataBase
Density 1.431 g/cm³
Solubility
Melting Point 194 °C
Formula C₈H₇NO₅
Boiling Point 373.293 °C at 760 mmHg
Molecular Weight 197.147
Flash Point 179.561 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms o-Anisic acid, 3-nitro- (6CI);2-Methoxy-3-nitrobenzoic acid;
PSA 92.35000
LogP 1.82480

Benzoicacid, 2-methoxy-3-nitro- Specification

The Benzoicacid, 2-methoxy-3-nitro-, with the CAS registry number 40751-88-0, is also known as o-Anisic acid, 3-nitro- (6CI). This chemical's molecular formula is C₈H₇NO₅ and molecular weight is 197.14. What's more, its systematic name is 2-Methoxy-3-nitrobenzoic acid.

Physical properties of Benzoicacid, 2-methoxy-3-nitro- are: (1)ACD/LogP: 1.28; (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: 6; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 92.35 Å²; (11)Index of Refraction: 1.588; (12)Molar Refractivity: 46.407 cm³; (13)Molar Volume: 137.807 cm³; (14)Polarizability: 18.397×10^-24cm³; (15)Surface Tension: 58.768 dyne/cm; (16)Density: 1.431 g/cm³; (17)Flash Point: 179.561 °C; (18)Enthalpy of Vaporization: 65.464 kJ/mol; (19)Boiling Point: 373.293 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: COc1c(cccc1N(=O)=O)C(O)=O
(2)InChI: InChI=1/C8H7NO5/c1-14-7-5(8(10)11)3-2-4-6(7)9(12)13/h2-4H,1H3,(H,10,11)
(3)InChIKey: GMSYODOBBOEWCM-UHFFFAOYSA-N

Product Name

2-METHOXY-3-NITROBENZOIC ACID

Benzoicacid, 2-methoxy-3-nitro- Specification

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