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53213-79-9

Basic Information
CAS No.: 53213-79-9
Name: 3,3'-DIPROPYLOXACARBOCYANINE IODIDE
Molecular Structure:
Molecular Structure of 53213-79-9 (3,3'-DIPROPYLOXACARBOCYANINE IODIDE)
Formula: C23H25N2O2.I
Molecular Weight: 488.3613
Synonyms: Benzoxazolium,3-propyl-2-[3-(3-propyl-2(3H)-benzoxazolylidene)-1-propenyl]-, iodide (9CI);FD5330;
Melting Point: 283 °C (dec.)(lit.)
Solubility: DMSO: soluble
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-36
PSA: 35.09000
LogP: 1.86700
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    Benzoxazolium,3-propyl-2-[3-(3-propyl-2(3H)-benzoxazolylidene)-1-propen-1-yl]-, iodide (1:1)

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    3,3'-DIPROPYLOXACARBOCYANINE IODIDEAppearance:detailed see specifications Storage:Keep away of light, cool place Package:25kg/drum;200kg/drum Application:An important raw material and intermediate used in Organic Synthesis, Pharmaceuticals Transporta

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    3,3'-DIPROPYLOXACARBOCYANINE IODIDEAppearance:white crystalline powder Storage:Store in dry, dark and ventilated place Package:25KG drum Application:intermediate Transportation:by air, by sea, by express

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  • 3,3'-DIPROPYLOXACARBOCYANINE IODIDE  CAS NO.53213-79-9

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    3,3'-DIPROPYLOXACARBOCYANINE IODIDE CAS NO.53213-79-9

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Specification

The CAS register number of 3,3'-Dipropyloxacarbocyanine iodide is 53213-79-9. It also can be called as 3-Propyl-2-[3-[3-propyl-2(3H)-benzoxazolylidene]-1-propenyl]benzoxazolium iodide and the systematic name about this chemical is 3-propyl-2-[(1E,3E)-3-(3-propyl-1,3-benzoxazol-2(3H)-ylidene)prop-1-en-1-yl]-1,3-benzoxazol-3-ium iodide. The molecular formula about this chemical is C23H25N2O2.I and the molecular weight is 488.36.

Physical properties about 3,3'-Dipropyloxacarbocyanine iodide are: (1)#H bond acceptors: 4; (2)#Freely Rotating Bonds: 6; (3)Polar Surface Area: 29.49Å2.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing. In case of 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: [I-].O\1c4ccccc4N(C/1=C/C=C/c3oc2ccccc2[n+]3CCC)CCC
(2)InChI: InChI=1/C23H25N2O2.HI/c1-3-16-24-18-10-5-7-12-20(18)26-22(24)14-9-15-23-25(17-4-2)19-11-6-8-13-21(19)27-23;/h5-15H,3-4,16-17H2,1-2H3;1H/q+1;/p-1
(3)InChIKey: LWWWYHFXRJVZBL-REWHXWOFAH
(4)Std. InChI: InChI=1S/C23H25N2O2.HI/c1-3-16-24-18-10-5-7-12-20(18)26-22(24)14-9-15-23-25(17-4-2)19-11-6-8-13-21(19)27-23;/h5-15H,3-4,16-17H2,1-2H3;1H/q+1;/p-1
(5)Std. InChIKey: LWWWYHFXRJVZBL-UHFFFAOYSA-M