THYMOL BLUE

CAS No.
81012-93-3
CCD No.
CCD00001579
Formula
C27H29NaO5S
MolWeight
488.577

Basic Information

Product Name: THYMOL BLUE
CAS: 81012-93-3
English Synonyms: LABOTEST-BB LT03382065 ; THYMOL BLUE ; LABOTEST-BB LT00847633 ; THYMOL BLUE SODIUM SALT ; SODIUM 2-[(4-HYDROXY-5-ISOPROPYL-2-METHYLPHENYL)(5-ISOPROPYL-2-METHYL-4-OXO-2,5-CYCLOHEXADIEN-1-YLIDENE)METHYL]BENZENESULFONATE ; THYMOLSULFONEPHTHALEIN, SODIUM SALT ; LABOTEST-BB LT03378953 ; THYMOL BLUE, WATER SOLUBLE ; THYMOL BLUE SODIUM SALT WATER SOLUBLE
MDL Number.: MFCD00001617
H bond acceptor: 5
H bond donor: 1
Smile: [Na+].CC(C)C1=CC(\C(=C2\C=C(C(C)C)C(=O)C=C2C)C2=C(C=CC=C2)S([O-])(=O)=O)=C(C)C=C1O
InChi: InChI=1S/C27H30O5S.Na/c1-15(2)20-13-22(17(5)11-24(20)28)27(19-9-7-8-10-26(19)33(30,31)32)23-14-21(16(3)4)25(29)12-18(23)6;/h7-16,28H,1-6H3,(H,30,31,32);/q;+1/p-1/b27-23-;
InChiKey: InChIKey=OCMIKNBSIRSUPI-FRWNMSGJSA-M

Property

Melting Point: 283 DEG C
Comments: HAZARD: S24/25
INDICATOR
TSCA: Y
Specification: PURE

Safety information

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