CAS No.553-24-2,Basic Red 5 Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	553-24-2
Name:	Basic Red 5

Formula:	C₁₅H₁₇ClN₄
Molecular Weight:	288.78
Synonyms:	2,8-Phenazinediamine,N8,N8,3-trimethyl-, monohydrochloride (9CI);C.I. Basic Red 5, monohydrochloride(8CI);Toluylene red (6CI);3-Amino-7-dimethylamino-2-methylphenazinehydrochloride;C.I. 50040;C.I. Basic Red 5;Neutral Red;Neutral Red W;Nuclear Fast Red (basic dye);
EINECS:	209-035-8
Density:	1.1590 (rough estimate)
Melting Point:	290 °C (dec.)(lit.)
Boiling Point:	497.3 °C at 760 mmHg
Flash Point:	254.6 °C
Solubility:	50 g/L in water
Appearance:	dark green powder
Hazard Symbols:	Xn, Xi
Risk Codes:	68
Safety:	36/37
PSA:	55.04000
LogP:	4.12280

Synthetic route

: tetrafluoroboric acid

: 553-24-2
neutral red

: 3-methyl-7-dimethylaminophenazine-2-diazonium tetrafluoroborate

Conditions

Conditions	Yield
With sodium nitrite In water for 2h;	68%

: 553-24-2
neutral red

: 31160-45-9
3,N8,N8-trimethyl-5,10-dihydro-phenazine-2,8-diamine

Conditions

Conditions	Yield
With sodium dithionite bei pH 8.2;

: tetrafluoroboric acid

: 553-24-2
neutral red

: 3-methyl-7-dimethylaminophenazine-2-diazonium tetrafluoroborate

Conditions

Conditions	Yield
With sodium nitrite In water for 2h;	68%

: 553-24-2
neutral red

: 31160-45-9
3,N8,N8-trimethyl-5,10-dihydro-phenazine-2,8-diamine

Conditions

Conditions	Yield
With sodium dithionite bei pH 8.2;

: 553-24-2
neutral red

: 3-amino-7-dimethylamino-2,5-dimethyl-phenazinium; chloride-hydrochloride

Conditions

Conditions	Yield
beim Acetylieren;

: 553-24-2
neutral red

: 3-amino-7-dimethylamino-2,5-dimethyl-phenazinium; iodide

Conditions

Conditions	Yield
beim Acetylieren;

: 553-24-2
neutral red

: 98-95-3
nitrobenzene

: 77-78-1
dimethyl sulfate

3-amino-6-dimethylamino-2-methyl-phenazine chloromethylate-(10): 3-amino-6-dimethylamino-2-methyl-phenazine chloromethylate-(10)

Conditions

Conditions	Yield
at 160 - 170℃; folgendes Kochen mit Salzsaeure;

...Expand

: 553-24-2
neutral red

: 74-88-4
methyl iodide

3-amino-6-dimethylamino-2-methyl-phenazine chloromethylate-(10): 3-amino-6-dimethylamino-2-methyl-phenazine chloromethylate-(10)

Conditions

Conditions	Yield
at 100℃; folgendes Kochen mit Salzsaeure;

: 64-17-5
ethanol

: 7664-93-9
sulfuric acid

: 553-24-2
neutral red

sodium nitrite: sodium nitrite

6-dimethylamino-2-methyl-phenazine: 6-dimethylamino-2-methyl-phenazine

...Expand

: 553-24-2
neutral red

dimer: dimer

Conditions

Conditions	Yield
In water at 40℃; Thermodynamic data; Equilibrium constant; further temperatures, solvents, salts, ΔG(activ.), ΔH(activ.), ΔS(activ.);

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Consensus Reports

Reported in EPA TSCA Inventory. EPA Genetic Toxicology Program.

Specification

The IUPAC name of Nuclear Red is 8-N,8-N,3-trimethylphenazine-2,8-diamine hydrochloride. With the CAS registry number 553-24-2, it is also named as 3-Amino-7-dimethylamino-2-methylphenazine hydrochloride. The product's categories are organics; analytical chemistry; indicator (pH); pH indicators; stains and dyes. It is dark green powder which is stable and incompatible with strong oxidizing agents. Nuclear Red is highly toxic and flammable. When buring it will produce toxic nitrogen oxide and hydrogen chloride fumes. In addition, the storage environment should be ventilate, low-temperature and dry.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 2.70; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.41; (4)ACD/LogD (pH 7.4): 2.7; (5)ACD/BCF (pH 5.5): 33.69; (6)ACD/BCF (pH 7.4): 65.71; (7)ACD/KOC (pH 5.5): 355.67; (8)ACD/KOC (pH 7.4): 693.68; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Enthalpy of Vaporization: 76.53 kJ/mol; (13)Vapour Pressure: 4.99E-10 mmHg at 25°C; (14)Rotatable Bond Count: 1; (15)Tautomer Count: 4; (16)Exact Mass: 288.114174; (17)MonoIsotopic Mass: 288.114174; (18)Topological Polar Surface Area: 55; (19)Heavy Atom Count: 20.

Uses of Nuclear Red: It is not only used as a vital stain, to stain living cells, but also used to stain cell cultures for plate titration of viruses. And it is also added to some growth media for bacteria and cell cultures. Furthermore, it acts as a pH indicator, changing from red to yellow between the pH 6.8-8.0.

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

People can use the following data to convert to the molecule structure.
1. SMILES: Cl.n1c3c(nc2c1cc(c(c2)N)C)cc(N(C)C)cc3;
2. InChI: InChI=1/C15H16N4.ClH/c1-9-6-13-15(8-11(9)16)18-14-7-10(19(2)3)4-5-12(14)17-13;/h4-8H,16H2,1-3H3;1H.

The following are the toxicity data which has been tested.

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intraperitoneal	432mg/kg (432mg/kg)		Zhongguo Yaoxue Zazhi. Chinese Pharmacuetical Journal. Vol. 25, Pg. 356, 1990.
mouse	LD50	intravenous	142mg/kg (142mg/kg)	BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES CARDIAC: OTHER CHANGES	Federation Proceedings, Federation of American Societies for Experimental Biology. Vol. 10, Pg. 337, 1951.
rabbit	LD50	intravenous	96600ug/kg (96.6mg/kg)	BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION	Stanford Medical Bulletin. Vol. 9, Pg. 96, 1951.
rat	LD50	intravenous	112mg/kg (112mg/kg)	BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD CARDIAC: OTHER CHANGES LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES	Federation Proceedings, Federation of American Societies for Experimental Biology. Vol. 10, Pg. 337, 1951.