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CAS No.: | 3484-35-3 |
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Name: | 5-METHOXYINDOLE |
Article Data: | 52 |
Molecular Structure: | |
Formula: | C9H9NO |
Molecular Weight: | 147.177 |
Synonyms: | 2-Indolinone,5-methyl- (7CI,8CI);Oxindole, 5-methyl- (6CI);5-Methyl-2-indolinone;5-Methyl-2-oxindole;5-Methyl-2-oxoindoline;5-Methyloxindole; |
EINECS: | 213-745-3 |
Density: | 1.169 g/cm3 |
Melting Point: | 52-55 °C(lit. ) |
Boiling Point: | 311.9 °C at 760 mmHg |
Flash Point: | 109.2 °C |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36 |
PSA: | 29.10000 |
LogP: | 1.62760 |
The 2H-Indol-2-one, 1, 3-dihydro-5-methyl-, with the CAS registry number of 3484-35-3, is also known as 5-Methoxyindole and 5-Methyl-2-oxyindole. It belongs to the product category of Indoline & Oxindole. Its EINECS registry number is 213-745-3. This chemical's molecular formula is C9H9NO and molecular weight is 147.17. What's more, its systematic name is called 5-Methoxy-1H-indole. Besides, it should be stored at 2-8 °C.
Physical properties about 2H-Indol-2-one, 1, 3-dihydro-5-methyl- are: (1)ACD/LogP: 2.06; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.06; (4)ACD/LogD (pH 7.4): 2.06; (5)ACD/BCF (pH 5.5): 21.57; (6)ACD/BCF (pH 7.4): 21.57; (7)ACD/KOC (pH 5.5): 313.65; (8)ACD/KOC (pH 7.4): 313.65; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 14.16 Å2; (13)Index of Refraction: 1.637; (14)Molar Refractivity: 45.2 cm3; (15)Molar Volume: 125.8 cm3; (16)Polarizability: 17.92×10-24 cm3; (17)Surface Tension: 45.7 dyne/cm; (18)Density: 1.169 g/cm3; (19)Flash Point: 109.2 °C; (20)Enthalpy of Vaporization: 53.08 kJ/mol; (21)Boiling Point: 311.9 °C at 760 mmHg; (22)Vapour Pressure: 0.00101 mmHg at 25 °C; (23)Melting Point: 52-55 °C(lit. ).
When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. In addition, this chemical may cause inflammation to the skin or other mucous membranes. During using it, wear suitable protective clothing.
You can still convert the following datas into molecular structure:
(1) SMILES: COc1ccc2c(c1)cc[nH]2
(2) InChI: InChI=1/C9H9NO/c1-11-8-2-3-9-7(6-8)4-5-10-9/h2-6,10H,1H3
(3) InChIKey: DWAQDRSOVMLGRQ-UHFFFAOYAJ