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26206-78-0

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Basic Information
CAS No.: 26206-78-0
Name: 3'-Chloro-6'-(cyclohexylamino)fluoran
Molecular Structure:
Molecular Structure of 26206-78-0 (3'-Chloro-6'-(cyclohexylamino)fluoran)
Formula: C26H22 Cl N O3
Molecular Weight: 431.91
Synonyms: Fluoran,3'-chloro-6'-(cyclohexylamino)- (8CI); 3-Cyclohexylamine-6-chlorofluoran;3'-Chloro-6'-(cyclohexylamino)fluoran; 3'-Cyclohexylamino-6'-chlorofluoran;6'-Chloro-3'-(cyclohexylamino)fluoran; PSD Orange; PSD-O; Yamada Orange 100
EINECS: 247-518-5
Density: 1.39g/cm3
Boiling Point: 625.3°Cat760mmHg
Flash Point: 331.9°C
PSA: 47.56000
LogP: 6.72560
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Chemistry

Molecule structure of 3'-Chloro-6'-(cyclohexylamino)fluoran (CAS NO.26206-78-0):

IUPAC Name: 3'-Chloro-6'-(cyclohexylamino)spiro[2-benzofuran-3,9'-xanthene]-1-one
Molecular Weight: 431.91078 [g/mol]
Molecular Formula: C26H22ClNO3 
Index of Refraction: 1.693
Molar Refractivity: 119.13 cm3
Molar Volume: 310.3 cm3
Surface Tension: 65.1 dyne/cm
Density: 1.39 g/cm3
Flash Point: 331.9 °C
Enthalpy of Vaporization: 92.57 kJ/mol
Boiling Point: 625.3 °C at 760 mmHg
Vapour Pressure: 1.5E-15 mmHg at 25 °C
XLogP3-AA: 6.6
H-Bond Donor: 1
H-Bond Acceptor: 4
Rotatable Bond Count: 2
Exact Mass: 431.128821
MonoIsotopic Mass: 431.128821
Topological Polar Surface Area: 47.6
Heavy Atom Count: 31
Canonical SMILES: C1CCC(CC1)NC2=CC3=C(C=C2)C4(C5=C(O3)C=C(C=C5)Cl)C6=CC=CC=C6C(=O)O4
InChI: InChI=1S/C26H22ClNO3/c27-16-10-12-21-23(14-16)30-24-15-18(28-17-6-2-1-3-7-17)11-13-22(24)26(21)20-9-5-4-8-19(20)25(29)31-26/h4-5,8-15,17,28H,
1-3,6-7H2
InChIKey: RDQSNMHMCMDRHU-UHFFFAOYSA-N
EINECS: 247-518-5 
Classification Code of 3'-Chloro-6'-(cyclohexylamino)fluoran (CAS NO.26206-78-0): TSCA Flag P [A commenced PMN (Premanufacture Notice) substance]

Specification

 3'-Chloro-6'-(cyclohexylamino)fluoran (CAS NO.26206-78-0) is also called 3'-Chloro-6'-(cyclohexylamino)spiro(isobenzofuran-1(3H),9'-(9H)xanthene)-3-one ; Spiro(isobenzofuran-1(3H),9'-(9H)xanthen)-3-one, 3'-chloro-6'-(cyclohexylamino)- ; 9'-[9H]xanthen]-3-one, 3'-chloro-6'-(cyclohexylamino)-Spiro [isobenzofuran-1(3H) .