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Pinacyanol bromide

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Name

Pinacyanol bromide

EINECS N/A
CAS No. 2670-67-9 Density N/A
PSA 8.81000 LogP 1.90080
Solubility N/A Melting Point 286 °C
Formula C25H25BrN2 Boiling Point N/A
Molecular Weight 433.3834 Flash Point N/A
Transport Information N/A Appearance N/A
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 2670-67-9 (1,1'-DIETHYL-2,2'-CARBOCYANINE BROMIDE) Hazard Symbols IrritantXi
Synonyms

1,1'-Diethyl-2,2'-carbocyanine bromide;

 

Pinacyanol bromide Specification

The Pinacyanol bromide, with the CAS registry number 2670-67-9, is also known as 1,1'-Diethyl-2,2'-carbocyanine bromide. This chemical's molecular formula is C25H25BrN2 and molecular weight is 433.38. Its IUPAC name is called 1-ethyl-2-[3-(1-ethylquinolin-1-ium-2-yl)prop-2-enylidene]quinolinebromide.

Physical properties about Pinacyanol bromide are: (1)H-Bond: Donor: 0; (2)H-Bond: Acceptor: 2; (3)Rotatable: Bond: Count: 4; (4)Exact Mass: 432.120111; (5)MonoIsotopic Mass: 432.120111; (6)Topological Polar: Surface: Area: 7.1; (7)Heavy Atom: Count: 28; (8)Formal Charge: 0; (9)Complexity: 527; (10)Undefined: Bond StereoCenter Count: 2; (11)Covalently-Bonded Unit Count: 2; (12)Melting Point: 286 °C.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCN1C(=CC=CC2=[N+](C3=CC=CC=C3C=C2)CC)C=CC4=CC=CC=C41.[Br-]
(2)InChI: InChI=1S/C25H25N2.BrH/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: COPIHGSSCONEQG-UHFFFAOYSA-M

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