CAS No.2578-45-2,2-CHLORO-3,5-DINITROPYRIDINE Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	2578-45-2
Name:	2-CHLORO-3,5-DINITROPYRIDINE
Article Data:	10

Formula:	C₅H₂ClN₃O₄
Molecular Weight:	203.542
Synonyms:	2-Chloro-3,5-dinitropyridine;3,5-Dinitro-2-chloropyridine;
EINECS:	219-937-3
Density:	1.72 g/cm³
Melting Point:	63-65 °C(lit.)
Boiling Point:	320.9 °C at 760 mmHg
Flash Point:	147.9 °C
Solubility:	Insoluble in water.
Appearance:	light yellow crystalline powder
Hazard Symbols:	Xi,T
Risk Codes:	25
Safety:	26-36/37/39-45
Transport Information:	UN 2811
PSA:	104.53000
LogP:	2.59780

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Specification

This chemical is called Pyridine, 2-chloro-3,5-dinitro-, and its CAS registry number is 2578-45-2. With the molecular formula of C₅H₂ClN₃O₄, its product categories are Pyridines, Pyrimidines, Purines and Pteredines; Chloropyridines; Functional Materials; Halopyridines; Organic Nonlinear Optical Materials; NLO Chromophores and Intermediates; Heterocyclic Building Blocks; Non-Linear Optical (NLO) Materials. In addition, this chemical should be sealed at the temperature of 2-8 °C.

Other characteristics of the Pyridine, 2-chloro-3,5-dinitro- can be summarised as followings: (1)ACD/LogP: 0.86; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.86; (4)ACD/LogD (pH 7.4): 0.86; (5)ACD/BCF (pH 5.5): 2.66; (6)ACD/BCF (pH 7.4): 2.66; (7)ACD/KOC (pH 5.5): 70.06; (8)ACD/KOC (pH 7.4): 70.06; (9)#H bond acceptors: 7; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 104.53 Å²; (13)Index of Refraction: 1.634; (14)Molar Refractivity: 42.33 cm³; (15)Molar Volume: 118.2 cm³; (16)Polarizability: 16.78×10^-24cm³; (17)Surface Tension: 75.1 dyne/cm; (18)Density: 1.72 g/cm³; (19)Flash Point: 147.9 °C; (20)Enthalpy of Vaporization: 54.03 kJ/mol; (21)Boiling Point: 320.9 °C at 760 mmHg; (22)Vapour Pressure: 0.000577 mmHg at 25°C.

Production method of this chemical: The Pyridine, 2-chloro-3,5-dinitro- could be obtained by the reactant of 3,5-dinitro-1H-pyridin-2-one. This reaction needs the reagent of POCl₃/dimethylformamide. The yield is 95 %. In addition, this reaction should be taken for 4 hours at the temperature of 90-100 °C.

Uses of this chemical: The Pyridine, 2-chloro-3,5-dinitro- could react with sarcosine ethyl ester; hydrochloride, and obtain the N-(3,5-dinitro-2-pyridyl)sarcosine ethyl ester. This reaction needs the reagent of Et₃N, and the solvent of ethanol. The yield is 77 %. In addition, this reaction should be taken for half an hour at the ambient temperature.

You can still convert the following datas into molecular structure:
1.SMILES: O=[N+]([O-])c1cc(cnc1Cl)[N+]([O-])=O
2.InChI: InChI=1/C5H2ClN3O4/c6-5-4(9(12)13)1-3(2-7-5)8(10)11/h1-2H
3.InChIKey: QLHVJBXAQWPEDI-UHFFFAOYAX

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
guinea pig	LD50	skin	> 1gm/kg (1000mg/kg)	LUNGS, THORAX, OR RESPIRATION: ACUTE PULMONARY EDEMA SKIN AND APPENDAGES (SKIN): "DERMATITIS, OTHER: AFTER SYSTEMIC EXPOSURE"	National Technical Information Service. Vol. OTS0546346,
mouse	LD50	intraperitoneal	10mg/kg (10mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: MUSCLE WEAKNESS	National Technical Information Service. Vol. OTS0546346,
mouse	LD50	oral	50mg/kg (50mg/kg)	BEHAVIORAL: MUSCLE WEAKNESS LUNGS, THORAX, OR RESPIRATION: CYANOSIS	National Technical Information Service. Vol. OTS0546346,
rat	LD50	intraperitoneal	5mg/kg (5mg/kg)	BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: MUSCLE WEAKNESS LUNGS, THORAX, OR RESPIRATION: CYANOSIS	National Technical Information Service. Vol. OTS0546346,
rat	LD50	oral	50mg/kg (50mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: MUSCLE WEAKNESS LUNGS, THORAX, OR RESPIRATION: CYANOSIS	National Technical Information Service. Vol. OTS0546346,