Spiro(isobenzofuran-1(3H),9'-(9H)xanthen)-3-one, 2'-chloro-6'-(diethylamino)-3'-methyl-

Base Information

• Chemical Name: Spiro(isobenzofuran-1(3H),9'-(9H)xanthen)-3-one, 2'-chloro-6'-(diethylamino)-3'-methyl-
• CAS No.: 21121-62-0
• Deprecated CAS: 57087-74-8
• Molecular Formula: C25H22ClNO3
• Molecular Weight: 419.90
• European Community (EC) Number: 244-222-8
• DSSTox Substance ID: DTXSID90885161
• Nikkaji Number: J68.981E
• Mol file: 21121-62-0.mol

Synonyms:21121-62-0;3-Diethylamino-6-methyl-7-chlorofluoran;Spiro(isobenzofuran-1(3H),9'-(9H)xanthen)-3-one, 2'-chloro-6'-(diethylamino)-3'-methyl-;2'-Chloro-6'-(diethylamino)-3'-methyl-3H-spiro[isobenzofuran-1,9'-xanthen]-3-one;2'-chloro-6'-(diethylamino)-3'-methylspiro[2-benzofuran-3,9'-xanthene]-1-one;Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 2'-chloro-6'-(diethylamino)-3'-methyl-;2'-Chloro-6'-(diethylamino)-3'-methylfluoran;EINECS 244-222-8;Heat(Pressure) Sensitive Scarlet TF-R2;SCHEMBL6411659;DTXSID90885161;Heat(pressure)sensitive scarlet tf-r2;2\'-chloro-6\'-(dimethylamino)-3\'-methylspiro[isobenzofuran-1(3H),9\'-[9H]xanthene]-3-one

Chemical Property of Spiro(isobenzofuran-1(3H),9'-(9H)xanthen)-3-one, 2'-chloro-6'-(diethylamino)-3'-methyl-

Chemical Property:

• Refractive Index: 1.699
• Boiling Point: 608.9 °C at 760 mmHg
• PKA: 4.77±0.20(Predicted)
• Flash Point: 322 °C
• PSA: 38.77000
• Density: 1.35 g/cm³
• LogP: 6.06260
• XLogP3: 6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 419.1288213
• Heavy Atom Count: 30
• Complexity: 654

Purity/Quality:

99%, ^*data from raw suppliers

2'-Chloro-6'-(diethylamino)-3'-methyl-3H-spiro[isobenzofuran-1,9'-xanthen]-3-one 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCN(CC)C1=CC2=C(C=C1)C3(C4=CC=CC=C4C(=O)O3)C5=C(O2)C=C(C(=C5)Cl)C