CAS No.17894-26-7,2,5-DIMETHOXY-3-NITROBENZOIC ACID Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	17894-26-7
Name:	2,5-DIMETHOXY-3-NITROBENZOIC ACID
Article Data:	3

Formula:	C₉H₉NO₆
Molecular Weight:	227.174
Synonyms:	3-Nitro-2,5-dimethoxybenzoic acid;
Density:	1.403 g/cm³
Melting Point:	183-187 °C (lit.)
Boiling Point:	427.5 °C at 760 mmHg
Flash Point:	212.3 °C
Appearance:	yellow crystalline powder
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36
PSA:	101.58000
LogP:	1.83340

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- China (Mainland)(22)
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Specification

The Benzoic acid, 2, 5-dimethoxy-3-nitro-, with the CAS registry number 17894-26-7, is also known as 3-Nitro-2, 5-dimethoxybenzoic acid. It belongs to the product categories of Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts; C9; Carbonyl Compounds; Carboxylic Acids. This chemical's molecular formula is C₉H₉NO₆ and molecular weight is 227.17. What's more, its systematic name is 2, 5-Dimethoxy-3-nitrobenzoic acid.

Physical properties about Benzoic acid, 2, 5-dimethoxy-3-nitro- are: (1)ACD/LogP: 1.77; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.54; (4)ACD/LogD (pH 7.4): -1.35; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1.07; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 7; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 90.58 Å²; (13)Index of Refraction: 1.569; (14)Molar Refractivity: 53.08 cm³; (15)Molar Volume: 161.8 cm³; (16)Polarizability: 21.04×10^-24 cm³; (17)Surface Tension: 53.7 dyne/cm; (18)Density: 1.403 g/cm³; (19)Flash Point: 212.3 °C; (20)Enthalpy of Vaporization: 71.94 kJ/mol; (21)Boiling Point: 427.5 °C at 760 mmHg; (22)Vapour Pressure: 4.55E-08 mmHg at 25 °C.

Preparation of Benzoic acid, 2, 5-dimethoxy-3-nitro-: this chemical is prepared by 2, 5-Dimethoxy-benzoic acid. The reaction needs reagent HNO₃. The yield is about 76 %.

The Benzoic acid, 2, 5-dimethoxy-3-nitro- can be obtained by 2, 5-Dimethoxy-benzoic acid.

When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. In addition, this chemical may cause inflammation to the skin or other mucous membranes. During using it, you should wear suitable protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: [O-][N+](=O)c1cc(OC)cc(C(=O)O)c1OC
(2) InChI: InChI=1/C9H9NO6/c1-15-5-3-6(9(11)12)8(16-2)7(4-5)10(13)14/h3-4H,1-2H3,(H,11,12)
(3) InChIKey: QCJROOYLFVYZEP-UHFFFAOYAI