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CAS No.: | 60434-13-1 |
---|---|
Name: | 5-chloro-1-methyl-1H-indole-2,3-dione |
Article Data: | 104 |
Molecular Structure: | |
Formula: | C9H6ClNO2 |
Molecular Weight: | 195.605 |
Synonyms: | 1-Methyl-5-chloro-2,3-indoledione;1-Methyl-5-chloroisatin;5-Chloro-1-methylisatin; |
EINECS: | 262-231-5 |
Density: | 1.454 g/cm3 |
Melting Point: | 175.0 to 179.0 °C |
Boiling Point: | 344.9 °C at 760 mmHg |
Flash Point: | 162.4 °C |
PSA: | 37.38000 |
LogP: | 1.56410 |
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The CAS registry number of 1H-Indole-2,3-dione,5-chloro-1-methyl- is 60434-13-1. Its EINECS registry number is 262-231-5. This chemical's molecular formula is C9H6ClNO2 and molecular weight is 195.60244. Its systematic name is called 5-chloro-1-methyl-1H-indole-2,3-dione.
Physical properties of 1H-Indole-2,3-dione,5-chloro-1-methyl-: (1)ACD/LogP: 1.18; (2)ACD/LogD (pH 5.5): 1.18; (3)ACD/LogD (pH 7.4): 1.18; (4)ACD/BCF (pH 5.5): 4.6; (5)ACD/BCF (pH 7.4): 4.6; (6)ACD/KOC (pH 5.5): 103.81; (7)ACD/KOC (pH 7.4): 103.81; (8)#H bond acceptors: 3; (9)Index of Refraction: 1.619; (10)Molar Refractivity: 47.24 cm3; (11)Molar Volume: 134.5 cm3; (12)Surface Tension: 54.9 dyne/cm; (13)Density: 1.454 g/cm3; (14)Flash Point: 162.4 °C; (15)Enthalpy of Vaporization: 58.89 kJ/mol; (16)Boiling Point: 344.9 °C at 760 mmHg; (17)Vapour Pressure: 6.39E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1cc2c(cc1)N(C(=O)C2=O)C
(2)InChI: InChI=1/C9H6ClNO2/c1-11-7-3-2-5(10)4-6(7)8(12)9(11)13/h2-4H,1H3
(3)InChIKey: NJOPQQPDPYWFFA-UHFFFAOYAP