Compound Selection

Formula: C20H14O4

MW: 318.33

CAS: 77-09-8

MDL NUMBER: MFCD00005913

IUPAC: 3,3-bis(4-hydroxyphenyl)-3-hydroisobenzofuran-1-one

Smiles: c1ccc2C(OC(c2c1)=O)(c1ccc(cc1)O)c1ccc(cc1)O

Phenolphthalein, indicator

THERAPEUTIC CATEGORY: Cathartic; Vet - Laxative

ACCEPTORS: 4

DONORS: 2

ROTATION BONDS: 2

N+O: 4

Chiral Centers: 0

LogP: 5.26

LogS: -4.74

LIPINSKI: 4

Synonyms: LABOTEST-BB LT02090809;CI 764;CI NO 764 (1924);BETZ 0212;3,3-BIS(4-HYDROXYPHENYL)-1(3H)-ISOBENZOFURANONE;3,3-Bis(4-hydroxyphenyl)phthalide;3,3-BIS(P-HYDROXYPHENYL)PHTHALIDE;TIMTEC-BB SBB008868

CAS:77-09-8

MF:C20H14O4

MW:318.32

EINECS:201-004-7

Product Categories:Furan&Benzofuran;Analytical Chemistry;Indicator (pH);pH Indicators;Chemistry;Indicator Solutions;Indicators;Titration;Indicator SolutionsStains and Dyes;P;Stains&Dyes, A to Phenolphthalein

Chemical Properties: mp 258-263 C density 1.299 Fp 24 C Water Solubility <0.1 g/100 mL Merck 14,7243 BRN 284423 Stability:Stable. Incompatible with strong oxidizing agents, alkalies.

CAS DataBase Reference: 77-09-8(

CAS DataBase Reference: ) NIST Chemistry ReferencePhenolphthalein(77-09-8) EPA Substance Registry System1(3H)-Isobenzofuranone, 3,3-bis(4-hydroxyphenyl)-(77-09-8) Xn,T,F,Xi Risk Statements 40-22-10-36/38-23/25-11-36/37/38 Safety Statements 45-36/37-33-24-16-7-36-26 RIDADR UN 1993 RTECS SM8380000 HS Code 29322910 Hazardous Substances Data77-09-8(Hazardous Substances Data) 3,3-Bis(4-hydroxyphenyl)-1(3H)-isobenzofuranone Phenolphthalein

Usage And Synthesis:

Chemical Properties: white to light yellow crystal powde Phenolphthalein

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