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CAS Number: 89331-94-2
6'-(dibutylamino)-3'-methyl-2'-(phenylamino)-3H-spiro[isobenzofuran-1,9'-xanthen]-3-one

Structure

 6'-(dibutylamino)-3'-methyl-2'-(phenylamino)-3H-spiro[isobenzofuran-1,9'-xanthen]-3-one
Name: 6'-(dibutylamino)-3'-methyl-2'-(phenylamino)-3H-spiro[isobenzofuran-1,9'-xanthen]-3-one
Synonyms:
General Information
Product Number: 89331942

CAS Registry Number 89331-94-2
Name:
Spiro[isobenzofuran-?1(3H)?,?9'-?[9H]?xanthen]?-?3-?one, 6'-?(dibutylamino)?-?3'-?methyl-?2'-?(phenylamino)?-
2-Anilino-3-methyl-6-(di-n-butylamino)fluoran
2-Anilino-3-methyl-6-(dibutylamino)fluoran
2-Anilino-6-di-n-butylamino-3-methylfluoran
2-Anilino-6-dibutylamino-3-methylfluoran
2-Phenylamino-3-methyl-6-(di-n-butylamino)fluorane

 

Chemical Formula: C35H36N2O3
Exact Mass: 532.27
Molecular Weight: 532.67
m/z: 532.27 (100.0%), 533.28 (38.4%), 534.28 (7.8%), 535.28 (1.1%)

 

InChI:InChI=1S/C35H36N2O3/c1-4-6-19-37(20-7-5-2)26-17-18-29-33(22-26)39-32-21-24(3)31(36-25-13-9-8-10-14-25)23-30(32)35(29)28-16-12-11-15-27(28)34(38)40-35/h8-18,21-23,36H,4-7,19-20H2,1-3H3

InChI Key:XAAILNNJDMIMON-UHFFFAOYSA-N

Canonical SMILES:CCCCN(CCCC)C1=CC2=C(C=C1)C3(C4=CC=CC=C4C(=O)O3)C5=CC(=C(C=C5O2)C)NC6=CC=CC=C6

 

Thermal Properties Value Condition Note
Melting Point 184 °C   (3)CAS
Melting Point 181.5-183.5 °C   (4)CAS
Melting Point 179-186 °C   (5)CAS
Melting Point 179-186 °C   (6)CAS
Melting Point 179-182 °C   (7)CAS
Melting Point 148-152 °C   (6)CAS

Specification

98%
References
  1. (2) Wang, Sheng; Molecular Crystals and Liquid Crystals 2009, V504, P155-163 CAPLUS
  2. (3) Anon.; IP.com Journal 2009, V9(9B), P74 CAPLUS
  3. (4) Harada, Hiroaki; EP 435149 A2 1991 CAPLUS
  4. (5) Nakai, Toshuki; JP 08060002 A 1996 CAPLUS
  5. (6) Tanabe, Yuichi; JP 03195777 A 1991 CAPLUS
  6. (7) Masuzawa, Masami; JP 06279696 A 1994 CAPLUS
  7. (8) Kawakami, Hiroshi; JP 01281983 A 1989 CAPLUS
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