CAS No.550-74-3,PICROLONIC ACID Suppliers

Products Categories

Pharmaceutical (18)
Organic Chemicals (13)
Others (7)
Reagent (3)

Basic Information

Molecular Structure:
CAS No.:	550-74-3
Name:	PICROLONIC ACID

Formula:	C₁₀H₈N₄O₅
Molecular Weight:	264.197
Synonyms:	Picrolonicacid (6CI,7CI,8CI);NSC 5049;Picrolonic acid;3-Methyl-4-nitro-1-(p-nitrophenyl)-2-pyrazolin-5-one;2-Pyrazolin-5-one, 3-methyl-4-nitro-1-(p-nitrophenyl)-;3-Methyl-4-nitro-1-p-nitrophenyl-5-pyrazolone;
EINECS:	208-986-6
Density:	1.65 g/cm³
Melting Point:	119 °C
Boiling Point:	548.8 °C at 760 mmHg
Flash Point:	285.7 °C
Solubility:	9000 mg/L at 17 °C in water
Appearance:	beige to ochre-yellow powder
Hazard Symbols:	Xn,Xi
Risk Codes:	68-36/37/38-22
Safety:	37/39-26-36
PSA:	124.31000
LogP:	1.50960

Synthetic route

: 33409-77-7
{(C6H5C6H5)2Cr}(1+)*OC6H5(1-)={(C6H5C6H5)2Cr}OC6H5

: 550-74-3
picrolonic acid

: {(C6H5C6H5)2Cr}(1+)*C10H7N4O5(1-)={(C6H5C6H5)2Cr}C10H7N4O5

Conditions

Conditions	Yield
	70%
	70%

: 556-61-6
methyl thioisocyanate

: 550-74-3
picrolonic acid

: 2-(5-i.propil-4-imidazolilmetiltio)etilamina dibromidrato

: N-metil-N'-<2-(5-i.propil-4-imidazolilmetiltio)etil>tiourea picrolonato

Conditions

Conditions	Yield
1.) water, 8 h, r.t; 2.) ethanol, water; Yield given. Multistep reaction;

...Expand

: N-(2-methoxycarbonylhexa-2,4-dienyl)-N-methyldiphenylphosphinamide

: 550-74-3
picrolonic acid

: 1,2-dimethyl-5-methoxycarbonyl-1,2,3,6-tetrahydropyridinium picrolonate

Conditions

Conditions	Yield
Yield given. Multistep reaction;

: 61194-41-0, 65942-18-9
(+/-)-8-benzyloxy-3α-ethyl-1,3,4,6,7,11bα-hexahydro-9,10-dimethoxy-2H-benzoquinolizine-2β-acetic acid

: 550-74-3
picrolonic acid

: (+/-)-7 picrolonate

Conditions

Conditions	Yield
In ethanol

: 550-74-3
picrolonic acid

: strontium chloride

: picrolonic acid, strontium salt * 7 H2O

Conditions

Conditions	Yield
In sodium hydroxide satd. pyrazolone acid; pH=7; 0.033 n Sr soln.; equimolar;; pptn.;;

: barium(II)

: 550-74-3
picrolonic acid

: barium picrolonate

Conditions

Conditions	Yield
In water addition of a satd. picolonic acid-solution to a neutral or weak acidic Ba-salt-solution forms Ba(C10H7O5N4)2;;
In water

: silver nitrate

: 550-74-3
picrolonic acid

: Ag(3-methyl-4-nitro-1-(4-nitro-phenyl)-5-pyrazolone)NO3

Conditions

Conditions	Yield
In water
In water

: manganese(II) chloride tetrahydrate

: 550-74-3
picrolonic acid

: Mn(2+)*2C10H7N4O5(1-)*2.5H2O=Mn(C10H7N4O5)2*2.5H2O

Conditions

Conditions	Yield
In water with twofold excess of picrolonic acid; heated to boiling; ppt. washed with water and ethanol, then ether and dried at 100°C in vac.;
In water

: 33409-77-7
{(C6H5C6H5)2Cr}(1+)*OC6H5(1-)={(C6H5C6H5)2Cr}OC6H5

: 550-74-3
picrolonic acid

: {(C6H5C6H5)2Cr}(1+)*C10H7N4O5(1-)={(C6H5C6H5)2Cr}C10H7N4O5

Conditions

Conditions	Yield
	70%
	70%

: 556-61-6
methyl thioisocyanate

: 550-74-3
picrolonic acid

: 2-(5-i.propil-4-imidazolilmetiltio)etilamina dibromidrato

: N-metil-N'-<2-(5-i.propil-4-imidazolilmetiltio)etil>tiourea picrolonato

Conditions

Conditions	Yield
1.) water, 8 h, r.t; 2.) ethanol, water; Yield given. Multistep reaction;

...Expand

Total:37 Page 1 of 1 1

Post a RFQ

Cas No.:

Product Name:

Quantity:

Email:

Company name:

Valid Period:

Detailed Requirements:

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

What can I do for you?
Get Best Price

Get Best Price for 550-74-3

Consensus Reports

Reported in EPA TSCA Inventory.

Specification

The IUPAC name of Picrolonic acid is 5-methyl-4-nitro-2-(4-nitrophenyl)-4H-pyrazol-3-one. With the CAS registry number 550-74-3, it is also named as 3-Methyl-4-nitro-1-p-nitrophenyl-5-pyrazolone. The product's classification code is Mutation data, and the other registry number is 46972-75-2. Besides, it is beige to ochre-yellow powder, which should be stored in a closed, dark, cool and dry place. In addition, its molecular formula is C₁₀H₈N₄O₅ and molecular weight is 264.19.

The other characteristics of this product can be summarized as: (1)EINECS: 208-986-6; (2)ACD/LogP: 0.49; (3)# of Rule of 5 Violations: 0; (4)ACD/LogD (pH 5.5): -1.9; (5)ACD/LogD (pH 7.4): -2.01; (6)ACD/BCF (pH 5.5): 1; (7)ACD/BCF (pH 7.4): 1; (8)ACD/KOC (pH 5.5): 1; (9)ACD/KOC (pH 7.4): 1; (10)#H bond acceptors: 9; (11)#H bond donors: 0; (12)#Freely Rotating Bonds: 3; (13)Index of Refraction: 1.714; (14)Molar Refractivity: 62.52 cm³; (15)Molar Volume: 159.2 cm³; (16)Surface Tension: 78.3 dyne/cm; (17)Density: 1.65 g/cm³; (18)Flash Point: 285.7 °C; (19)Melting Point: 119 °C; (20)Water Solubility: 9000 mg/L at 17 °C; (21)Enthalpy of Vaporization: 82.85 kJ/mol; (22)Boiling Point: 548.8 °C at 760 mmHg; (23)Vapour Pressure: 4.26E-12 mmHg at 25 °C.

Preparation of Picrolonic acid: this chemical can be prepared by 3-Methyl-1-phenyl-2-pyrazolin-5-one.

Uses of Picrolonic acid: this chemical can be used to test alkaloids, Tryptophan, Phenylalanine. It is also used to test strontium, thorium, magnesium and lead. Similarly, it can be used as analytical reagent.

When you are using this chemical, please be cautious about it as the following: it is irritating to eyes, respiratory system and skin. It is also possible risk of irreversible effects. Moreover, it is harmful if swallowed. In case of contact with eyes, please rinse immediately with plenty of water and seek medical advice. And you should wear suitable protective clothing, gloves and eye/face protection.

People can use the following data to convert to the molecule structure.
(1)SMILES: [O-][N+](=O)c2ccc(N1/N=C(\C(C1=O)[N+]([O-])=O)C)cc2
(2)InChI: InChI=1/C10H8N4O5/c1-6-9(14(18)19)10(15)12(11-6)7-2-4-8(5-3-7)13(16)17/h2-5,9H,1H3
(3)InChIKey: OVFUUSPKWADLNJ-UHFFFAOYAM

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
rat	LD	oral	> 500mg/kg (500mg/kg)		National Academy of Sciences, National Research Council, Chemical-Biological Coordination Center, Review. Vol. 5, Pg. 23, 1953.