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Basic Yellow 2

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Basic Yellow 2

EINECS 219-567-2
CAS No. 2465-27-2 Density 1.01g/cm3
Solubility Melting Point >250 °C (dec.)(lit.)
Formula C17H21N3.HCl Boiling Point 406.2 °C at 760 mmHg
Molecular Weight 303.83 Flash Point 199.4 °C
Transport Information Appearance yellow powder
Safety 36/37-45-36-22 Risk Codes 22-24-40-20/21/22
Molecular Structure Molecular Structure of 2465-27-2 (Basic Yellow 2) Hazard Symbols ToxicT,HarmfulXn
Synonyms

C.I. 41000;(Tetramethyldiamino)diphenylketoimine hydrochloride;1,1-Bis(p-dimethylaminophenyl)methylenimine hydrochloride;4,4'-Bis(dimethylamino)-benzhydrylidenimine hydrochloride;4:4'-Bis(dimethylamino)benzophenone-imine hydrochloride;Adc Auramine O;Aizen Auramine Conc. SFA;

 

Basic Yellow 2 Specification

The Auramine O is an organic compound with the formula C17H21N3.HCl. The IUPAC name of this chemical is 4-[4-(dimethylamino)benzenecarboximidoyl]-N,N-dimethylaniline hydrochloride. With the CAS registry number 2465-27-2, it is also named as (Tetramethyldiamino)diphenylketoimine hydrochloride. The product's categories are Dyes and Pigments; Organics. Besides, it is a yellow powder, which should be stored in a closed cool and dark place. It can be used together with rhodamine B as the truant auramine-rhodamine stain for mycobacterium tuberculosis. It can be also used as an antiseptic agent.

Physical properties about Auramine O are: (1)ACD/LogP: 3.48; (2)ACD/LogD (pH 5.5): 1.48; (3)ACD/LogD (pH 7.4): 1.52; (4)ACD/BCF (pH 5.5): 2.61; (5)ACD/BCF (pH 7.4): 2.85; (6)ACD/KOC (pH 5.5): 18.71; (7)ACD/KOC (pH 7.4): 20.43; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 18.84 Å2; (12)Flash Point: 199.4 °C; (13)Enthalpy of Vaporization: 65.78 kJ/mol; (14)Boiling Point: 406.2 °C at 760 mmHg; (15)Vapour Pressure: 8.31E-07 mmHg at 25°C.

Preparation: this chemical can be prepared by N, N-dimethyl aniline and formaldehyde.

When you are using this chemical, please be cautious about it as the following:
It is harmful by inhalation, in contact with skin and if swallowed and toxic in contact with skin. Besides, this chemical has limited evidence of a carcinogenic effect. When you are using it, wear suitable protective clothing and gloves and do not breathe dust. In case of accident or if you feel unwell seek medical advice immediately (show the label where possible).

You can still convert the following datas into molecular structure:
(1)SMILES: Cl.[N@H]=C(c1ccc(N(C)C)cc1)c2ccc(N(C)C)cc2
(2)InChI: InChI=1/C17H21N3.ClH/c1-19(2)15-9-5-13(6-10-15)17(18)14-7-11-16(12-8-14)20(3)4;/h5-12,18H,1-4H3;1H
(3)InChIKey: KSCQDDRPFHTIRL-UHFFFAOYAK
(4)Std. InChI: InChI=1S/C17H21N3.ClH/c1-19(2)15-9-5-13(6-10-15)17(18)14-7-11-16(12-8-14)20(3)4;/h5-12,18H,1-4H3;1H
(5)Std. InChIKey: KSCQDDRPFHTIRL-UHFFFAOYSA-N

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LD50 oral 150mg/kg (150mg/kg)   Chemical Warfare Laboratories Technical Memorandum. Vol. #47-6, Pg. 1959,
domestic animals - goat/sheep LD50 oral 150mg/kg (150mg/kg)   Chemical Warfare Laboratories Technical Memorandum. Vol. #47-6, Pg. 1959,
mouse LD50 oral 480mg/kg (480mg/kg)   U.S. Army Chemical Research & Development Laboratory, Special Publication. Vol. 4-59, Pg. 1964,
mouse LD50 skin 300mg/kg (300mg/kg)   U.S. Army Chemical Research & Development Laboratory, Special Publication. Vol. 4-59, Pg. 1964,
mouse LD50 subcutaneous 300mg/kg (300mg/kg)   Osaka-furitsu Koshu Eisei Kenkyusho Kenkyu Hokoku, Koshu Eisei Hen. Research Reports of the Oaka Prefectural Institute of Public Health, Public Health Section. Vol. (3), Pg. 185, 1953.
rat LD50 intraperitoneal 135mg/kg (135mg/kg)   NATO ASI Series, Series A: Life Sciences. Vol. 60, Pg. 745, 1983.
rat LDLo oral 1500mg/kg (1500mg/kg)   Cancer Research. Vol. 26, Pg. 619, 1966.
Link to PubMed

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