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Quinolinium,1-ethyl-2-[3-(1-ethyl-2(1H)-quinolinylidene)-1-propen-1-yl]-, chloride (1:1) (2768-90-3)

Identification
Name:Quinolinium,1-ethyl-2-[3-(1-ethyl-2(1H)-quinolinylidene)-1-propen-1-yl]-, chloride (1:1)
Synonyms:1-Ethyl-2-[3-(1-ethyl-2(1H)-quinolylidene)propenyl]quinoliniumchloride (6CI,7CI); Quinolinium,1-ethyl-2-[3-(1-ethyl-2(1H)-quinolinylidene)-1-propenyl]-, chloride (9CI);Quinolinium, 1-ethyl-2-[3-(1-ethyl-2(1H)-quinolylidene)propenyl]-, chloride(8CI); 1,1'-Diethyl-2,2'-carbocyanine chloride; 1,1'-Diethyl-2,2'-quinocarbocyaninechloride; Pinacyanol chloride; Quinaldine blue; Vernitest; Vernitest reagent
CAS:2768-90-3
EINECS: 220-457-1
Molecular Formula: C25H25 N2 . Cl
Molecular Weight: 388.93
InChI: InChI=1/C25H25N2.ClH/c1-3-26-22(18-16-20-10-5-7-14-24(20)26)12-9-13-23-19-17-21-11-6-8-15-25(21)27(23)4-2;/h5-19H,3-4H2,1-2H3;1H/q+1;/p-1
Molecular Structure: (C25H25N2.Cl) 1-Ethyl-2-[3-(1-ethyl-2(1H)-quinolylidene)propenyl]quinoliniumchloride (6CI,7CI); Quinolinium,1-ethy...
Properties
Melting Point: 270 °C (dec.)(lit.)
Flash Point: °C
Boiling Point: °Cat760mmHg
Density:g/cm3
Appearance:olive-green to green-black powder
Specification:

The Pinacyanol chloride, with CAS registry number 2768-90-3, belongs to the following product categories: (1)Quinolinecarboxylic Acids, etc.; (2)Quinolines. It has the systematic name of 1-ethyl-2-[(1E,3E)-3-(1-ethylquinolin-2(1H)-ylidene)prop-1-en-1-yl]quinolinium chloride. Its classification code is Diagnostic aid [obstetrics]. This chemical should be stored at the temperature of 2-8°C. What's more, its EINECS is 220-457-1.

Physical properties of Pinacyanol chloride: (1)#H bond acceptors: 2; (2)#H bond donors: 0; (3)#Freely Rotating Bonds: 4; (4)Polar Surface Area: 7.12 Å2.

When you are using this chemical, please be cautious about it as the following:
The Pinacyanol chloride irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: [Cl-].c4ccc3c(\C=C/C(=C\C=C\c2[n+](c1ccccc1cc2)CC)N3CC)c4
(2)InChI: InChI=1/C25H25N2.ClH/c1-3-26-22(18-16-20-10-5-7-14-24(20)26)12-9-13-23-19-17-21-11-6-8-15-25(21)27(23)4-2;/h5-19H,3-4H2,1-2H3;1H/q+1;/p-1
(3)InChIKey: FVMNARAKYNRZID-REWHXWOFAH
(4)Std. InChI: InChI=1S/C25H25N2.ClH/c1-3-26-22(18-16-20-10-5-7-14-24(20)26)12-9-13-23-19-17-21-11-6-8-15-25(21)27(23)4-2;/h5-19H,3-4H2,1-2H3;1H/q+1;/p-1
(5)Std. InChIKey: FVMNARAKYNRZID-UHFFFAOYSA-M

Flash Point: °C
Storage Temperature: 2-8°C
Safety Data
Hazard Symbols Xi: Irritant
 

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