CAS 90-46-0|9-Hydroxyxanthene|9H-Xanthen-9-ol|xanthydrol|9H-xanthen-9-ol|9-Hydroxyxanthene|XANTHYDROL|9-Xanthenol|Xanthydrol solution|Xanthanol|Xanthen-9-ol|9-Hydroxyxanthenl|9-Xanthydrol|Xanthydrol|...

InChI=1S/C13H10O2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1-8,13-14H

JFRMYMMIJXLMBB-UHFFFAOYSA-N

OC1c2ccccc2Oc2c1cccc2

OC1c2c(cccc2)Oc2ccccc12

Acid pKa

13.211562

H Acceptors

H Donor

LogD (pH = 5.5)

2.5171776

LogD (pH = 7.4)

2.5171769

Log P

2.5171776

Molar Refractivity

57.3395

Polarizability

22.379759

Polar Surface Area

29.46

Rotatable Bonds

Lipinski's Rule of Five

true

9-Hydroxyxanthene9H-Xanthen-9-ol9-HydroxyxantheneXANTHYDROL9-XanthenolXanthydrol solution9-XanthydrolXanthen-9-ol9-HydroxyxanthenlXanthanol氧杂蒽醇Xanthydrol9-羟基呫吨占吨醇9-羟基吨氢醇Xanthydrol solution占吨氢醇溶液NSC 4038

IUPAC Traditional name

Click here to submit data

02152268

Colorimetric reagent for tryptophan.

252573

Packaging
5, 25 g in glass bottle

95580

Other Notes
Reagent for the determination of urea1

X743650

Intermediate in the preparation of Propantheline Bromide.

• Used in the protection of thiols as their S-xanthenyl (Xan) thioethers, by reaction in the presence of TFA. The Xan group can also be cleaved using TFA in dichloromethane in the presence of triethylsilane as a cation scavenger, or with iodine in acetic acid: J. Org. Chem., 62, 3841 (1997).

Names and Identifiers

Synonyms

IUPAC name

9H-xanthen-9-ol

IUPAC Traditional name

xanthydrol

Registration numbers

CAS Number

90-46-0

EC Number

201-996-1

PubChem SID

248552211620406452489017224890173

MDL Number

Beilstein Number

Chemspider ID

PubChem CID

Wikipedia Title

Molecule Details

Colorimetric reagent for tryptophan.

Wikipedia

Xanthydrol

Sigma Aldrich

252573

Packaging
5, 25 g in glass bottle

95580

Other Notes
Reagent for the determination of urea1

TRC

X743650

Intermediate in the preparation of Propantheline Bromide.

References

PubChem Literature

From Data Sources

Bioactivity

PubChem BioAssay

Safety Statements

S22 36 37 45

16-36/37-45

Risk Statements

R42 43

11-23/24/25-39/23/24/25

Personal Protective Equipment

Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Storage Temperature

2-8°C

German water hazard class

GHS Pictograms

Acute toxicity (oral, dermal, inhalation), categories 1,2,3

Flammable gases, category 1

Flammable aerosols, categories 1,2

Flammable liquids, categories 1,2,3

Self-reactive substances and mixtures, Types B,C,D,E,F

Pyrophoric liquids, category 1

Pyrophoric solids, category 1

Self-heating substances and mixtures

Substances and mixtures, which in contact with water, emit flammable gases, categories 1,2,3

Organic peroxides, Types B,C,D,E,F

Respiratory sensitization, category 1

Germ cell mutagenicity, categories 1A,1B,2

Carcinogenicity, categories 1A,1B,2

Reproductive toxicity, categories 1A,1B,2

Specific Target Organ Toxicity – Single exposure, categories 1,2

Specific Target Organ Toxicity – Repeated exposure, categories 1,2

Aspiration Hazard, category 1

GHS Signal Word

Danger

RID/ADR

UN 1230 3/PG 2

GHS Hazard statements

H225-H301+H311+H331-H370

UN Number

1230

European Hazard Symbols

Flammable (F)

Toxic (T)

Hazard Class

GHS Precautionary statements

P210-P260-P280-P301+P310-P311

Packing Group

TSCA Listed

是

Concentration

~10% in methanol

Quality

for the detection of urea

Impurities

~1% xanthone

Certificate of Analysis

Empirical Formula (Hill Notation)

Molecule

ID:75727