CAS No.2460-59-5,3,5-DINITROSALICYLALDEHYDE Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	2460-59-5
Name:	3,5-DINITROSALICYLALDEHYDE
Article Data:	12

Formula:	C₇H₄N₂O₆
Molecular Weight:	212.119
Synonyms:	Salicylaldehyde,3,5-dinitro- (6CI,7CI,8CI);2-Hydroxy-3,5-dinitrobenzaldehyde;3,5-Dinitro-2-hydroxybenzaldehyde;3,5-Dinitrosalicylaldehyde;
EINECS:	219-551-5
Density:	1.721 g/cm³
Melting Point:	68-70 °C(lit.)
Boiling Point:	301.5 °C at 760 mmHg
Flash Point:	133.3 °C
Solubility:	Soluble in water, 0.6 g/100 mL (18°C).
Appearance:	YELLOW TO ORANGE POWDER OR CRYSTALLINE POWDER
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-37/39
PSA:	128.94000
LogP:	2.06750

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Specification

The Benzaldehyde,2-hydroxy-3,5-dinitro- is an organic compound with the formula C₇H₄N₂O₆. Its CAS registry number is 2460-59-5. The IUPAC name of this chemical is 2-Hydroxy-3,5-dinitrobenzaldehyde. In addition, the molecular weight is 212.12. It belongs to the product categories of Aromatic Aldehydes & Derivatives (substituted); Aldehydes; C7; Carbonyl Compounds. Its EINECS registry number is 219-551-5. Its classification code is TSCA Flag P [A commenced PMN (Premanufacture Notice) substance].

Physical properties about Benzaldehyde,2-hydroxy-3,5-dinitro- are: (1)ACD/LogP: 2.62; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.35; (4)ACD/LogD (pH 7.4): -0.53; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 8; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 117.94 Å²; (13)Index of Refraction: 1.706; (14)Molar Refractivity: 47.97 cm³; (15)Molar Volume: 123.2 cm³; (16)Polarizability: 19.02×10^-24 cm³; (17)Surface Tension: 88.8 dyne/cm; (18)Density: 1.721 g/cm³; (19)Flash Point: 133.3 °C; (20)Enthalpy of Vaporization: 56.34 kJ/mol; (21)Boiling Point: 301.5 °C at 760 mmHg; (22)Vapour Pressure: 0.000585 mmHg at 25 °C.

Uses of Benzaldehyde,2-hydroxy-3,5-dinitro-: it can be used to produce other chemicals. For example, it is used to produce 3-(2-hydroxy-3,5-dinitro-phenyl)-propenal with acetaldehyde. The reaction occurs with reagent NaOH and solvent H₂O at 20 °C for 21 hours. The yield is 34 %. The reaction equation is as followed:

Benzaldehyde,2-hydroxy-3,5-dinitro-(2) can be used to produce 3-(2-hydroxy-3,5-dinitro-phenyl)-propenal.

When you are dealing with this chemical, you should be very careful. This chemical is irritating to eyes, respiratory system and may cause inflammation to the skin or other mucous membranes. In addition, in case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. And we also should wear suitable gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1) SMILES: O=[N+]([O-])c1cc(cc(C=O)c1O)[N+]([O-])=O
(2) InChI: InChI=1/C7H4N2O6/c10-3-4-1-5(8(12)13)2-6(7(4)11)9(14)15/h1-3,11H
(3) InChIKey: FLJXIBHYDIMYRS-UHFFFAOYAZ