2'-Chloro-6'-diethylaminofluoran supplier

Name
2-Chloro-6-(diethylamino)-fluoran
EINECS
CAS No. 26567-23-7
Density 1.37 g/cm³
Solubility
Melting Point
Formula C₂₄H₂₀ClNO₃
Boiling Point 596.6 °C at 760 mmHg
Molecular Weight 405.87
Flash Point 314.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Fluoran,7'-chloro-3'-(diethylamino)- (8CI);3-Diethylamino-7-chlorofluoran;6'-Diethylamino-2'-chlorofluoran;7-Chloro-3-(diethylamino)fluoran;2'-Chloro-6'-diethylaminofluoran;2'-Chloro-6'-diethylaminospiro[isobenzofuran-1(3H),9'-[9H]xanthene]-3-one;
PSA 38.77000
LogP 5.75420

2'-Chloro-6'-diethylaminofluoran Specification

The IUPAC name of 2'-Chloro-6'-diethylaminofluoran is 2'-chloro-6'-(diethylamino)spiro[2-benzofuran-3,9'-xanthene]-1-one. With the CAS registry number 26567-23-7, it is also named as Spiro(isobenzofuran-1(3H),9'-(9H)xanthen)-3-one, 2'-chloro-6'-(diethylamino)-. In addition, its molecular formula is C₂₄H₂₀ClNO₃ and molecular weight is 405.87.

The other characteristics of 2'-Chloro-6'-diethylaminofluoran can be summarized as: (1)ACD/LogP: 6.03; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.95; (4)ACD/LogD (pH 7.4): 6.02; (5)ACD/BCF (pH 5.5): 18874.86; (6)ACD/BCF (pH 7.4): 22269.53; (7)ACD/KOC (pH 5.5): 38156.31; (8)ACD/KOC (pH 7.4): 45018.78; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 38.77 Å²; (13)Index of Refraction: 1.685; (14)Molar Refractivity: 112.16 cm³; (15)Molar Volume: 295 cm³; (16)Polarizability: 44.46×10^-24cm³; (17)Surface Tension: 62.9 dyne/cm; (18)Density: 1.37 g/cm³; (19)Flash Point: 314.6 °C; (20)Enthalpy of Vaporization: 88.88 kJ/mol; (21)Boiling Point: 596.6 °C at 760 mmHg; (22)Vapour Pressure: 3.37E-14 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: Clc4ccc5Oc1c(ccc(N(CC)CC)c1)C3(OC(=O)c2c3cccc2)c5c4
(2)InChI: InChI=1/C24H20ClNO3/c1-3-26(4-2)16-10-11-19-22(14-16)28-21-12-9-15(25)13-20(21)24(19)18-8-6-5-7-17(18)23(27)29-24/h5-14H,3-4H2,1-2H3
(3)InChIKey: GSCLSACFHWKTQU-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C24H20ClNO3/c1-3-26(4-2)16-10-11-19-22(14-16)28-21-12-9-15(25)13-20(21)24(19)18-8-6-5-7-17(18)23(27)29-24/h5-14H,3-4H2,1-2H3
(5)Std. InChIKey: GSCLSACFHWKTQU-UHFFFAOYSA-N

Product Name

2-Chloro-6-(diethylamino)-fluoran

2'-Chloro-6'-diethylaminofluoran Specification

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