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Basic Information
CAS No.: 16111-07-2
Name: 3',3'-Dimethyl-6-nitro-spiro[2H-1-benzopyran-2,2'-indoline]-1'-ethanol
Molecular Structure:
Molecular Structure of 16111-07-2 (3',3'-Dimethyl-6-nitro-spiro[2H-1-benzopyran-2,2'-indoline]-1'-ethanol)
Formula: C20H20N2O4
Molecular Weight: 352.39
Synonyms: Spiro[2H-1-benzopyran-2,2'-indoline]-1'-ethanol,3',3'-dimethyl-6-nitro- (8CI);3',3'-Dimethyl-1'-(b-hydroxyethyl)-6-nitrospiro[2H-1-benzopyran-2,2'-indoline];
Density: 1.366 g/cm3
Melting Point: 164-165 °C
Boiling Point: 540.311 °C at 760 mmHg
Flash Point: 280.57 °C
Safety: 24/25
PSA: 78.52000
LogP: 4.07500
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    1-(2-hydroxyethyl)-3,3-dimethyl-6-nitrospiro[1(2h)-benzopyran-2,2-indoline]

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  • 3',3'-Dimethyl-6-nitro-spiro[2H-1-benzopyran-2,2'-indoline]-1'-ethanol

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    3',3'-Dimethyl-6-nitro-spiro[2H-1-benzopyran-2,2'-indoline]-1'-ethanol

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  • 3',3'-Dimethyl-6-nitro-spiro[2H-1-benzopyran-2,2'-indoline]-1'-ethanol

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    16111-07-2

    3',3'-Dimethyl-6-nitro-spiro[2H-1-benzopyran-2,2'-indoline]-1'-ethanol

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  • 3',3'-Dimethyl-6-nitro-spiro[2H-1-benzopyran-2,2'-indoline]-1'-ethanol

  • Casno:

    16111-07-2

    3',3'-Dimethyl-6-nitro-spiro[2H-1-benzopyran-2,2'-indoline]-1'-ethanol

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  • 3',3'-Dimethyl-6-nitro-spiro[2H-1-benzopyran-2,2'-indoline]-1'-ethanol

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    16111-07-2

    3',3'-Dimethyl-6-nitro-spiro[2H-1-benzopyran-2,2'-indoline]-1'-ethanol

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  • Spiro[2H-1-benzopyran-2,2'-[2H]indole]-1'(3'H)-ethanol,3',3'-dimethyl-6-nitro-

  • Casno:

    16111-07-2

    Spiro[2H-1-benzopyran-2,2'-[2H]indole]-1'(3'H)-ethanol,3',3'-dimethyl-6-nitro-

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Chemistry

Molecular Structure of 3',3'-Dimethyl-6-nitro-spiro[2H-1-benzopyran-2,2'-indoline]-1'-ethanol (CAS No.16111-07-2):

Molecular Formula: C20H20N2O4 
Molecular Weight: 352.3838
CAS No: 16111-07-2
Systematic Name: 2-(3',3'-Dimethyl-6-nitrospiro[chromene-2,2'-indol]-1'(3'H)-yl)ethanol
Product Categories: Spiropyrans (Photochromic);Functional Materials;Photochromic Compounds
H bond acceptors: 6
H bond donors: 1
Freely Rotating Bonds: 4
Polar Surface Area: 67.52 Å2
Index of Refraction: 1.68
Molar Refractivity: 97.52 cm3
Molar Volume: 257.9 cm3
Surface Tension: 66.4 dyne/cm
Density: 1.36 g/cm3
Flash Point: 280.6 °C
Enthalpy of Vaporization: 86.08 kJ/mol
Boiling Point: 540.3 °C at 760 mmHg
Vapour Pressure: 1.66E-12 mmHg at 25°C
InChI: InChI=1/C20H20N2O4/c1-19(2)16-5-3-4-6-17(16)21(11-12-23)20(19)10-9-14-13-15(22(24)25)7-8-18(14)26-20/h3-10,13,23H,11-12H2,1-2H3
InChIKey: FGJPKPQMQFZPJY-UHFFFAOYAN
Std. InChI: InChI=1S/C20H20N2O4/c1-19(2)16-5-3-4-6-17(16)21(11-12-23)20(19)10-9-14-13-15(22(24)25)7-8-18(14)26-20/h3-10,13,23H,11-12H2,1-2H3
Std. InChIKey: FGJPKPQMQFZPJY-UHFFFAOYSA-N

Specification

  3',3'-Dimethyl-6-nitro-spiro[2H-1-benzopyran-2,2'-indoline]-1'-ethanol (CAS No.16111-07-2), its synonyms are 2-(3',3'-Dimethyl-6-nitrospiro[chromene-2,2'-indol]-1'(3'H)-yl)ethanol ; Spiro[2H-1-benzopyran-2,2'-[2H]indole]-1'(3'H)-ethanol, 3',3'-dimethyl-6-nitro- ; 1-(2-Hydroxyethyl)-3,3-dimethylindolino-6'-nitrobenzopyrylospiran ; 3',3'-Dimethyl-1'-(-hydroxyethyl)-6-nitrospiro2H-1-benzopyran-2,2'-indoline .