CAS No.22027-96-9,3,4-DIMETHOXY-5-NITRO-BENZALDEHYDE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	22027-96-9
Name:	3,4-DIMETHOXY-5-NITRO-BENZALDEHYDE
Article Data:	18

Formula:	C₉H₉NO₅
Molecular Weight:	211.174
Synonyms:	Veratraldehyde,5-nitro- (8CI);3,4-Dimethoxy-5-nitrobenzaldehyde;5-Nitroveratraldehyde;
Density:	1.312g/cm³
Boiling Point:	389.7 °C at 760 mmHg
Flash Point:	193.7 °C
PSA:	81.35000
LogP:	1.94770

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Specification

The Benzaldehyde,3,4-dimethoxy-5-nitro-, with CAS registry number 22027-96-9, has the systematic name of 3,4-dimethoxy-2-nitrobenzaldehyde. Besides this, it is also called 3,4-Dimethoxy-5-nitro-benzaldehyde. And the chemical formula of this chemical is C₉H₉NO₅.

Physical properties of Benzaldehyde,3,4-dimethoxy-5-nitro-: (1)ACD/LogP: 1.88; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.88; (4)ACD/LogD (pH 7.4): 1.88; (5)ACD/BCF (pH 5.5): 15.87; (6)ACD/BCF (pH 7.4): 15.87; (7)ACD/KOC (pH 5.5): 251.78; (8)ACD/KOC (pH 7.4): 251.78; (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: 1.571; (14)Molar Refractivity: 52.9 cm³; (15)Molar Volume: 160.9 cm³; (16)Polarizability: 20.97×10^-24cm³; (17)Surface Tension: 46.8 dyne/cm; (18)Density: 1.312 g/cm³; (19)Flash Point: 193.7 °C; (20)Enthalpy of Vaporization: 63.91 kJ/mol; (21)Boiling Point: 389.7 °C at 760 mmHg; (22)Vapour Pressure: 2.79E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c1c(ccc(OC)c1OC)C=O
(2)InChI: InChI=1/C9H9NO5/c1-14-7-4-3-6(5-11)8(10(12)13)9(7)15-2/h3-5H,1-2H3
(3)InChIKey: VHXOKHNXAGVMJI-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C9H9NO5/c1-14-7-4-3-6(5-11)8(10(12)13)9(7)15-2/h3-5H,1-2H3
(5)Std. InChIKey: VHXOKHNXAGVMJI-UHFFFAOYSA-N