CAS No.4959-60-8,3,4-DIMETHOXY-6-NITROBENZAMIDE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	4959-60-8
Name:	3,4-DIMETHOXY-6-NITROBENZAMIDE
Article Data:	26

Formula:	C₉H₁₀N₂O₅
Molecular Weight:	226.189
Synonyms:	Veratramide,6-nitro- (7CI,8CI);4,5-Dimethoxy-2-nitrobenzamide;4,5-Dimethoxynitrobenzamide;
Density:	1.346 g/cm³
Boiling Point:	336.8 °C at 760 mmHg
Flash Point:	157.5 °C
Hazard Symbols:	Xi
PSA:	107.37000
LogP:	1.93440

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Specification

The Benzamide,4,5-dimethoxy-2-nitro-, with the CAS registry number 4959-60-8, is also known as 4,5-Dimethoxynitrobenzamide. It belongs to the product categories of Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts. This chemical's molecular formula is C₉H₁₀N₂O₅and molecular weight is 226.19. What's more, both its IUPAC name and systematic name are the same which is called 4,5-Aimethoxy-2-nitrobenzamide. When you are dealing with this chemical, you should be very careful. This chemical may cause inflammation to the skin or other mucous membranes.

Physical properties about Benzamide,4,5-dimethoxy-2-nitro- are: (1)ACD/LogP: 0.73; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.73; (4)ACD/LogD (pH 7.4): 0.73; (5)ACD/BCF (pH 5.5): 2.11; (6)ACD/BCF (pH 7.4): 2.11; (7)ACD/KOC (pH 5.5): 59.48; (8)ACD/KOC (pH 7.4): 59.48; (9)#H bond acceptors: 7; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 84.59 Å²; (13)Index of Refraction: 1.569; (14)Molar Refractivity: 55.08 cm³; (15)Molar Volume: 167.9 cm³; (16)Polarizability: 21.83×10^-24cm³; (17)Surface Tension: 51.7 dyne/cm; (18)Density: 1.346 g/cm³; (19)Flash Point: 157.5 °C; (20)Enthalpy of Vaporization: 58 kJ/mol; (21)Boiling Point: 336.8 °C at 760 mmHg; (22)Vapour Pressure: 0.000109 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c1cc(OC)c(OC)cc1C(=O)N
(2)InChI: InChI=1/C9H10N2O5/c1-15-7-3-5(9(10)12)6(11(13)14)4-8(7)16-2/h3-4H,1-2H3,(H2,10,12)
(3)InChIKey: KSBGGQRDBYVDSC-UHFFFAOYAZ