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1H-Indole,2,3-dihydro-1,3,3-trimethyl-2-[2-(2-methyl-3H-indol-3-ylidene)ethylidene]-,hydrochloride (1:1) (3056-93-7)

Identification
Name:1H-Indole,2,3-dihydro-1,3,3-trimethyl-2-[2-(2-methyl-3H-indol-3-ylidene)ethylidene]-,hydrochloride (1:1)
Synonyms:1,3,3-Trimethyl-2-[2-(2-methylindol-3-yl)vinyl]-3H-indoliumchloride (7CI);1H-Indole,2,3-dihydro-1,3,3-trimethyl-2-[(2-methyl-3H-indol-3-ylidene)ethylidene]-,monohydrochloride (9CI);3H-Indolium,1,3,3-trimethyl-2-[2-(2-methylindol-3-yl)vinyl]-, chloride (8CI);AizenCathilon Orange GL;Aizen Cathilon Orange GLH;Astrazon Orange;Astrazon OrangeG;Astrazon Orange Zh;Atacryl Orange LGM-FS;Basic orange 21;C.I. 48035;C.I.Basic Orange 21;Cationic Orange Zh;Genacryl Orange G;Nabor Orange G;OrangeZh;SWT Orange 1;Sandocryl Orange B-G;Sevron Orange G;Stenacrile Orange GL;Sumiacryl Orange G;
CAS:3056-93-7
EINECS: 221-290-7
Molecular Formula: C22H22N2.ClH
Molecular Weight: 454.35
InChI: InChI=1/C22H22N2.ClH/c1-15-16(17-9-5-7-11-19(17)23-15)13-14-21-22(2,3)18-10-6-8-12-20(18)24(21)4;/h5-14H,1-4H3;1H
Molecular Structure: (C22H22N2.ClH) 1,3,3-Trimethyl-2-[2-(2-methylindol-3-yl)vinyl]-3H-indoliumchloride (7CI);1H-Indole,2,3-dihydro-1,3,...
Properties
Flash Point: °C
Boiling Point: °Cat760mmHg
Density:g/cm3
Specification:

The IUPAC name of C.I. Basic Orange 21 is 1,3,3-trimethyl-2-[(E)-2-(2-methyl-1H-indol-3-yl)ethenyl]indol-1-ium chloride . With the CAS registry number 3056-93-7, it is also named as Aizen Cathilon Orange GL ; Aizen Cathilon Orange GLH ; Astrazon Orange ; C.I. 48035 ; Cationic Orange ZH ; Genacryl Orange G ; Nabor Orange G ; Sandocryl Orange B-G ; Sevron Orange G ; 1H-Indole, 2,3-dihydro-1,3,3-trimethyl-2-((2-methyl-3H-indol-3-ylidene)ethylidene)-, monohydrochloride .

The C.I. Basic Orange 21 is slightly soluble in cold water and soluble in hot water. When heated to decomposition it emits toxic vapors of NOx, HCl, and Cl−.  It can be used as metachromatic dye. This product is harmful by inhalation, in contact with skin and if swallowed. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. After contact with skin, wash immediately with plenty of soap-suds. If you want to contact this product, you must wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)  

The C.I. Basic Orange 21 can be obtained by the ω-aldehyde and 2-methyl indole as the raw material. They are condensation in the presence of hydrochloric acid , and then dump into the water and change into chloride. After filtered, dried, crushed, we can get the product.

The other characteristics of this product can be summarized as: (1)H-Bond Donor: 1 ; (2)H-Bond Acceptor: 1 ; (3)Rotatable Bond Count: 2 ; (4)Exact Mass: 350.154976 ; (5)MonoIsotopic Mass: 350.154976 ; (6)Topological Polar Surface Area: 18.8 ; (7)Heavy Atom Count: 25 ; (8)Complexity: 544 ; (9)Defined Bond StereoCenter Count: 1 ; (10)Covalently-Bonded Unit Count: 2.

People can use the following data to convert to the molecule structure. SMILES: [Cl-].c1cccc2c1c(c(n2)C)\C=C\C4=[N+](\c3ccccc3C4(C)C)C; InChI:InChI=1/C22H22N2.ClH/c1-15-16(17-9-5-7-11-19(17)23-15)13-14-21-22(2,3)18-10-6-8-12-20(18)24(21)4;/h5-14H,1-4H3;1H.

The following is the toxicity data which has been tested.

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 490mg/kg (490mg/kg)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 51(1), Pg. 61, 1986.
rabbit LD50 oral 4500mg/kg (4500mg/kg)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 51(1), Pg. 61, 1986.
rat LD50 oral 2450mg/kg (2450mg/kg) BLOOD: OTHER CHANGES Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 51(1), Pg. 61, 1986.

Report:

Reported in EPA TSCA Inventory.

Flash Point: °C
Safety Data
Hazard Symbols Xn: Harmful
 

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