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Styryl 7

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Name

Styryl 7

EINECS N/A
CAS No. 114720-33-1 Density 1.1331 (rough estimate)
PSA 100.94000 LogP 6.98120
Solubility N/A Melting Point 215 °C
Formula C28H30N2O3S2 Boiling Point N/A
Molecular Weight 506.68 Flash Point N/A
Transport Information N/A Appearance dark green metallic fine powder
Safety 36/37-36-26 Risk Codes 20/21/22-36/37/38
Molecular Structure Molecular Structure of 114720-33-1 (Styryl 7) Hazard Symbols HarmfulXn, IrritantXi
Synonyms

2-[4-[4-(Dimethylamino)phenyl]-1,3-butadienyl]-3-ethylbenzothiazolium p-toluenesulfonate;

 

Styryl 7 Specification

The systematic name of Styryl 7 is 2-{(1E,3E)-4-[4-(dimethylamino)phenyl]buta-1,3-dien-1-yl}-3-ethyl-1,3-benzothiazol-3-ium 4-methylbenzenesulfonate. With the CAS registry number 114720-33-1, it is also named as 2-[4-[4-(Dimethylamino)phenyl]-1,3-butadienyl]-3-ethylbenzothiazolium p-toluenesulfonate. Moreover, its molecular formula is C28H30N2O3S2 and its molecular weight is 506.68. In addition, the product is dark green metallic fine powder, which should be stored in closed, cool and dry place.

The other characteristics of Styryl 7 can be summarized as: (1)H bond acceptors: 5; (2)H bond donors: 1; (3)Freely Rotating Bonds: 6; (4)Polar Surface Area: 100.94 Å2; (5)XlogP:5.9; (6)Melting point: 215 °C.

When you are using this chemical, please be cautious about it as the following: Styryl 7 is irritating to eyes, respiratory system and skin, it is also harmful by inhalation, in contact with skin and if swallowed. Please wear suitable protective clothing and gloves. Moreover, in case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

People can use the following data to convert to the molecule structure.
(1)SMILES:[O-]S(=O)(=O)c1ccc(cc1)C.s2c1ccccc1[n+](c2\C=C\C=C\c3ccc(N(C)C)cc3)CC
(2)InChI:InChI=1/C21H23N2S.C7H8O3S/c1-4-23-19-10-6-7-11-20(19)24-21(23)12-8-5-9-17-13-15-18(16-14-17)22(2)3;1-6-2-4-7(5-3-6)11(8,9)10/h5-16H,4H2,1-3H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1
(3)InChIKey:GJJVQOSJWDZAQM-REWHXWOFAJ
(4)Std. InChI:InChI=1S/C21H23N2S.C7H8O3S/c1-4-23-19-10-6-7-11-20(19)24-21(23)12-8-5-9-17-13-15-18(16-14-17)22(2)3;1-6-2-4-7(5-3-6)11(8,9)10/h5-16H,4H2,1-3H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1
(5)Std. InChIKey:GJJVQOSJWDZAQM-UHFFFAOYSA-M

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