CAS No.17213-58-0,3,5-Dimethoxybenzamide Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	17213-58-0
Name:	3,5-Dimethoxybenzamide
Article Data:	14

Formula:	C₉H₁₁NO₃
Molecular Weight:	181.191
Synonyms:	NSC 16615;Benzamide,3,5-dimethoxy-;
EINECS:	241-257-0
Density:	1.16 g/cm³
Melting Point:	145-148 °C(lit.)
Boiling Point:	285.9 °C at 760 mmHg
Flash Point:	133.2 °C
Appearance:	white to very slightly yellow powder
Hazard Symbols:	Xn
Risk Codes:	22-36/37/38
Safety:	24/25-26
PSA:	61.55000
LogP:	1.50300

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Specification

3,5-Dimethoxybenzamide is an organic compound with the formula C₉H₁₁NO₃, and its systematic name is the same with the product name. With the CAS registry number 17213-58-0, it is also named as p-Naphthoquinone. It belongs to the product categories of Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts; Building Blocks for Dendrimers; Functional Materials; Amides; Carbonyl Compounds; Organic Building Blocks. Its EINECS number is 241-257-0. In addition, the molecular weight is 181.19. Its classification codes are: (1)Agricultural Chemical; (2)Drug / Therapeutic Agent; (3)Fungicide, bactericide, wood preservative; (4)Mutation data; (5)Reproductive Effect; (6)Tumor data. It is stable at common pressure and temperature, and it should be sealed and stored in a ventilated and dry place. Moreover, it should be protected from oxides and light.

Physical properties of 3,5-Dimethoxybenzamide are: (1)ACD/LogP: 1.343; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.34; (4)ACD/LogD (pH 7.4): 1.34; (5)ACD/BCF (pH 5.5): 6.18; (6)ACD/BCF (pH 7.4): 6.18; (7)ACD/KOC (pH 5.5): 128.10; (8)ACD/KOC (pH 7.4): 128.10; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 61.55 Å²; (13)Index of Refraction: 1.534; (14)Molar Refractivity: 48.54 cm³; (15)Molar Volume: 156.139 cm³; (16)Polarizability: 19.243×10^-24cm³; (17)Surface Tension: 40.98 dyne/cm; (18)Density: 1.16 g/cm³; (19)Flash Point: 133.221 °C; (20)Enthalpy of Vaporization: 52.501 kJ/mol; (21)Boiling Point: 285.935 °C at 760 mmHg; (22)Vapour Pressure: 0.003 mmHg at 25°C.

Preparation: this chemical can be prepared by 3,5-dimethoxy-benzonitrile at the temperature of 50 °C. This reaction will need reagents sodium perborate tetrahydrate, water and solvent methanol. The yield is about 83%.

3,5-Dimethoxybenzamide can be prepared by 3,5-dimethoxy-benzonitrile at the temperature of 50 °C

Uses of 3,5-Dimethoxybenzamide: it can be used to produce 3,5-dimethoxy-cyclohexa-2,5-dienecarboxylic acid amide. It will need reagents Na, liq. NH₃ and solvent ethanol. The yield is about 68%.

3,5-Dimethoxybenzamide can be used to produce 3,5-dimethoxy-cyclohexa-2,5-dienecarboxylic acid amide

When you are using this chemical, please be cautious about it as the following:
This chemcial is harmful if swallowed. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you must avoid contact with eyes.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1cc(OC)cc(OC)c1)N
(2)Std. InChI: InChI=1S/C9H11NO3/c1-12-7-3-6(9(10)11)4-8(5-7)13-2/h3-5H,1-2H3,(H2,10,11)
(3)Std. InChIKey: YTLRWVNYANKXOW-UHFFFAOYSA-N