CAS No.1157-84-2,BENZALDEHYDE 2,4-DINITROPHENYLHYDRAZONE Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	1157-84-2
Name:	BENZALDEHYDE 2,4-DINITROPHENYLHYDRAZONE
Article Data:	78

Formula:	C₁₃H₁₀N₄O₄
Molecular Weight:	286.247
Synonyms:	Benzaldehyde,(2,4-dinitrophenyl)hydrazone (6CI,8CI,9CI);NSC 3863;
EINECS:	200-835-2
Density:	1.39 g/cm³
Melting Point:	239-241 °C (lit.)
Boiling Point:	458.534 °C at 760 mmHg
Flash Point:	231.113 °C
Appearance:	solid
Hazard Symbols:	Xi, Xn, T, F
Risk Codes:	36/37/38-23/24/25-11-41-37/38-22
Safety:	26-36-45-27-16-39
Transport Information:	UN 1648
PSA:	116.03000
LogP:	4.06840

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Specification

The Benzaldehyde, 2-(2, 4-dinitrophenyl)hydrazone, with the CAS registry number of 1157-84-2, is also known as Benzaldehyde 2, 4-dinitrophenylhydrazone. This chemical's molecular formula is C₁₃H₁₀N₄O₄ and molecular weight is 286.24. What's more, its IUPAC name is N-(benzylideneamino)-2, 4-dinitroaniline. Besides, it should be stored in airtight containers at 2-8 °C. Meanwhile, it should be avoided contact with oxidant.

Physical properties about Benzaldehyde, 2-(2, 4-dinitrophenyl)hydrazone are: (1)ACD/LogP: 4.87; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 5; (4)ACD/LogD (pH 7.4): 5; (5)ACD/BCF (pH 5.5): 3041; (6)ACD/BCF (pH 7.4): 3041; (7)ACD/KOC (pH 5.5): 10833; (8)ACD/KOC (pH 7.4): 10833; (9)#H bond acceptors: 8; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 116.03 Å²; (13)Index of Refraction: 1.65; (14)Molar Refractivity: 74.787 cm³; (15)Molar Volume: 205.047 cm³; (16)Surface Tension: 62.758 dyne/cm; (17)Density: 1.396 g/cm³; (18)Flash Point: 231.113 °C; (19)Enthalpy of Vaporization: 71.886 kJ/mol; (20)Boiling Point: 458.534 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25 °C.

Preparation: this chemical is prepared by reaction of Azidomethyl-benzene with (2, 4-Dinitro-phenyl)-hydrazine by heating. This reaction needs catalyst FeCl₃•6H₂O and solvent Acetonitrile. The reaction time is 13 hours. The yield is about 79 %.

Uses of Benzaldehyde, 2-(2, 4-dinitrophenyl)hydrazone: it is used to produce other chemicals. For example, it is used to produce Benzoylchlorid-2, 4-dinitrophenylhydrazon. The reaction needs reagent Cl₂ and solvent Acetic acid. The yield is about 62 %.

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 is toxic by inhalation, in contact with skin and if swallowed. During using it, wear suitable protective clothing and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Besides, this chemical is highly flammable, and it may catch fire in contact with an ignition source. Hence, keep it away from sources of ignition.

You can still convert the following datas into molecular structure:
(1) SMILES: [O-][N+](=O)c2ccc(N/N=C/c1ccccc1)c(c2)[N+]([O-])=O
(2) InChI: InChI=1/C13H10N4O4/c18-16(19)11-6-7-12(13(8-11)17(20)21)15-14-9-10-4-2-1-3-5-10/h1-9,15H/b14-9+
(3) InChIKey: DZPRPFUXOZTWAJ-NTEUORMPBS