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39755-95-8

Basic Information
CAS No.: 39755-95-8
Name: 5-Methoxyisatin
Article Data: 71
Molecular Structure:
Molecular Structure of 39755-95-8 (5-Methoxyisatin)
Formula: C9H7NO3
Molecular Weight: 177.159
Synonyms: Indole-2,3-dione,5-methoxy- (7CI);Isatin, 5-methoxy- (6CI);5-Methoxy-1H-indole-2,3-dione;5-Methoxyindole-2,3-dione;5-Methoxyindoline-2,3-dione;5-Methoxyisotin;NSC 88052;
EINECS: 212-271-4
Density: 1.346 g/cm3
Melting Point: 201-203 °C
Solubility: Soluble in cold water.
Appearance: Brown Solid
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-36/37/39
PSA: 55.40000
LogP: 0.96800
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Chemistry

IUPAC Name: 5-Methoxy-1H-indole-2,3-dione
Synonyms of 1H-Indole-2,3-dione,5-methoxy- (CAS NO.39755-95-8): 5-21-13-00116 (Beilstein Handbook Reference) ; 5-Methoxy-1H-indole-2,3-dione ; 5-Methoxy-indole-2,3-dione ; 5-Methoxyisatin ; BRN 0139520 ; NSC 88052 ; 1H-Indole-2,3-dione, 5-methoxy- (9CI) ; Indole-2,3-dione, 5-methoxy- 
CAS NO: 39755-95-8
Molecular Formula of 1H-Indole-2,3-dione,5-methoxy- (CAS NO.39755-95-8): C9H7NO3
Molecular Weight: 177.1568
Molecular Structure:

H bond acceptors: 4
H bond donors: 1
Freely Rotating Bonds: 1
Polar Surface Area: 46.61 Å2
Index of Refraction: 1.585
Molar Refractivity: 44.1 cm3
Molar Volume: 131.5 cm3
Surface Tension: 49.9 dyne/cm
Density of 1H-Indole-2,3-dione,5-methoxy- (CAS NO.39755-95-8): 1.346 g/cm3

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 658mg/kg (658mg/kg) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION Pharmaceutical Chemistry Journal Vol. 15, Pg. 858, 1981.

Safety Profile

Hazard Codes: IrritantXi
Risk Statements: 36/37/38 
R36/37/38: Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36/37/39 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36/37/39: Wear suitable protective clothing, gloves and eye/face protection.
RTECS: NL7938000
HazardClass: IRRITANT