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CAS No.: | 2768-90-3 |
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Name: | PINACYANOL CHLORIDE |
Molecular Structure: | |
Formula: | C25H25N2.Cl |
Molecular Weight: | 388.93 |
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; |
EINECS: | 220-457-1 |
Density: | 1.0453 (rough estimate) |
Melting Point: | 270 °C (dec.)(lit.) |
Boiling Point: | 543.58°C (rough estimate) |
Appearance: | olive-green to green-black powder |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36 |
PSA: | 8.81000 |
LogP: | 1.90080 |
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