Benzaldehyde,3-methoxy-5-nitro- supplier

Name
3-METHOXY-5-NITROBENZALDEHYDE
EINECS
CAS No. 354512-22-4
Article Data5
CAS DataBase
Density 1.322 g/cm³
Solubility
Melting Point
Formula C₈H₇NO₄
Boiling Point 326.5 °C at 760 mmHg
Molecular Weight 181.148
Flash Point 165.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-Methoxy-5-nitrobenzaldehyde;
PSA 72.12000
LogP 1.93910

Benzaldehyde,3-methoxy-5-nitro- Specification

The CAS registry number of Benzaldehyde,3-methoxy-5-nitro- is 354512-22-4. This chemical's molecular formula is C₈H₇NO₄ and molecular weight is 181.14548. What's more, its systematic name is called 3-Methoxy-5-nitrobenzaldehyde.

Physical properties about Benzaldehyde,3-methoxy-5-nitro- are: (1)ACD/LogP: 2.06; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.06; (4)ACD/LogD (pH 7.4): 2.06; (5)ACD/BCF (pH 5.5): 21.64; (6)ACD/BCF (pH 7.4): 21.64; (7)ACD/KOC (pH 5.5): 314.36; (8)ACD/KOC (pH 7.4): 314.36; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 72.12 Å²; (13)Index of Refraction: 1.59; (14)Molar Refractivity: 46.22 cm³; (15)Molar Volume: 136.9 cm³; (16)Polarizability: 18.32×10^-24 cm³; (17)Surface Tension: 50.1 dyne/cm; (18)Density: 1.322 g/cm³; (19)Flash Point: 165.4 °C; (20)Enthalpy of Vaporization: 56.87 kJ/mol; (21)Boiling Point: 326.5 °C at 760 mmHg; (22)Vapour Pressure: 0.000215 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: COc1cc(cc(c1)[N+](=O)[O-])C=O
(2) InChI: InChI=1/C8H7NO4/c1-13-8-3-6(5-10)2-7(4-8)9(11)12/h2-5H,1H3
(3) InChIKey: XZFQLZGPDRXXHV-UHFFFAOYAJ

Product Name

3-METHOXY-5-NITROBENZALDEHYDE

Benzaldehyde,3-methoxy-5-nitro- Specification

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