Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
Benzaldehyde, 2,3,4-trimethoxy-6-nitro- |
EINECS | N/A |
CAS No. | 52978-83-3 | Density | 1.304 g/cm3 |
PSA | 90.58000 | LogP | 1.95630 |
Solubility | N/A | Melting Point |
N/A |
Formula | C10H11NO6 | Boiling Point | 425.078 °C at 760 mmHg |
Molecular Weight | 241.2 | Flash Point | 203.646 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
2,3,4-TRIMETHOXY-6-NITROBENZALDEHYDE |
Article Data | 10 |
The CAS registry number of Benzaldehyde, 2,3,4-trimethoxy-6-nitro- is 52978-83-3. This chemical's molecular formula is C10H11NO6 and molecular weight is 241.1974. What's more, its systematic name is called 2,3,4-Trimethoxy-6-nitrobenzaldehyde.
Physical properties about Benzaldehyde, 2,3,4-trimethoxy-6-nitro- are: (1)ACD/LogP: 2.56; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 36; (6)ACD/BCF (pH 7.4): 36; (7)ACD/KOC (pH 5.5): 451; (8)ACD/KOC (pH 7.4): 451; (9)#H bond acceptors: 7; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 90.58 Å2; (13)Index of Refraction: 1.558; (14)Molar Refractivity: 59.587 cm3; (15)Molar Volume: 184.948 cm3; (16)Polarizability: 23.622×10-24 cm3; (17)Surface Tension: 44.553 dyne/cm; (18)Density: 1.304 g/cm3; (19)Flash Point: 203.646 °C; (20)Enthalpy of Vaporization: 67.967 kJ/mol; (21)Boiling Point: 425.078 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: COc1c(OC)c(C=O)c(cc1OC)N(=O)=O
(2) InChI: InChI=1/C10H11NO6/c1-15-8-4-7(11(13)14)6(5-12)9(16-2)10(8)17-3/h4-5H,1-3H3
(3) InChIKey: BARDBXITMSPPQC-UHFFFAOYAR