1-(Hydroxymethyl)-1H-indole-2,3-dione

Modify Date: 2025-08-25 18:45:10

1-(Hydroxymethyl)-1H-indole-2,3-dione Structure
1-(Hydroxymethyl)-1H-indole-2,3-dione structure
Common Name 1-(Hydroxymethyl)-1H-indole-2,3-dione
CAS Number 50899-59-7 Molecular Weight 177.15700
Density 1.462g/cm3 Boiling Point 364.3ºC at 760mmHg
Molecular Formula C9H7NO3 Melting Point N/A
MSDS N/A Flash Point 174.1ºC

 Names

Name 1-(Hydroxymethyl)-1H-indole-2,3-dione
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.462g/cm3
Boiling Point 364.3ºC at 760mmHg
Molecular Formula C9H7NO3
Molecular Weight 177.15700
Flash Point 174.1ºC
Exact Mass 177.04300
PSA 57.61000
LogP 0.23070
Index of Refraction 1.644
InChIKey MHGOPQDELUOKPE-UHFFFAOYSA-N
SMILES O=C1C(=O)N(CO)c2ccccc21

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
NL7931000
CHEMICAL NAME :
Indole-2,3-dione, 1-(hydroxymethyl)-
CAS REGISTRY NUMBER :
50899-59-7
BEILSTEIN REFERENCE NO. :
0153590
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C9-H7-N-O3
MOLECULAR WEIGHT :
177.17

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
785 mg/kg
TOXIC EFFECTS :
Behavioral - anticonvulsant Behavioral - antipsychotic
REFERENCE :
PHARAT Pharmazie. (VEB Verlag Volk und Gesundheit, Neue Gruenstr. 18, Berlin DDR-1020, Ger. Dem. Rep.) V.1- 1946- Volume(issue)/page/year: 37,858,1982

 Synthetic Route

~70%

1-(Hydroxymethyl)-1H-indole-2,3-dione Structure

1-(Hydroxymethy...

CAS#:50899-59-7

Literature: Mahfouz, Nadia M.; Omar, Farghaly A.; Aboul-Fadl, Tarek European Journal of Medicinal Chemistry, 1999 , vol. 34, # 7-8 p. 551 - 562

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1-(Hydroxymethyl)-1H-indole-2,3-dione Structure

1-(Hydroxymethy...

CAS#:50899-59-7

Literature: Reissert; Haendeler Chemische Berichte, 1924 , vol. 57, p. 994

 Precursor & DownStream

Precursor  2

DownStream  0

 Synonyms

1-(hydroxymethyl)indole-2,3-dione
1-(HYDROXYMETHYL)ISATIN
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