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115210-54-3

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Basic Information
CAS No.: 115210-54-3
Name: 2-METHYL-5-NITROINDOLINE
Article Data: 7
Molecular Structure:
Molecular Structure of 115210-54-3 (2-METHYL-5-NITROINDOLINE)
Formula: C9H10N2O2
Molecular Weight: 178.191
Synonyms: Indoline,2-methyl-5-nitro- (6CI);2-Methyl-5-nitro-2,3-dihydro-1H-indole;
Density: 1.217 g/cm3
Melting Point: 51-54 °C(lit.)
Boiling Point: 322.5 °C at 760 mmHg
Flash Point: 148.8 °C
Hazard Symbols: ToxicT
Risk Codes: 25-36/37/38
Safety: 26-36/37-45
Transport Information: UN 2811
PSA: 57.85000
LogP: 2.61250
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Specification

The 1H-Indole,2,3-dihydro-2-methyl-5-nitro-, with the CAS registry number 115210-54-3, is also known as 2-Methyl-5-nitroindoline. It belongs to the product categories of Building Blocks; Heterocyclic Building Blocks; Indolines. This chemical's molecular formula is C9H10N2O2 and molecular weight is 178.19. Its systematic name is called 2-methyl-5-nitro-2,3-dihydro-1H-indole.

Physical properties of 1H-Indole,2,3-dihydro-2-methyl-5-nitro-: (1)ACD/LogP: 2.56; (2)ACD/LogD (pH 5.5): 2.56; (3)ACD/LogD (pH 7.4): 2.56; (4)ACD/BCF (pH 5.5): 52.14; (5)ACD/BCF (pH 7.4): 52.14; (6)ACD/KOC (pH 5.5): 589.87; (7)ACD/KOC (pH 7.4): 589.89; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Index of Refraction: 1.575; (12)Molar Refractivity: 48.41 cm3; (13)Molar Volume: 146.3 cm3; (14)Surface Tension: 45.9 dyne/cm; (15)Density: 1.217 g/cm3; (16)Flash Point: 148.8 °C; (17)Enthalpy of Vaporization: 56.43 kJ/mol; (18)Boiling Point: 322.5 °C at 760 mmHg; (19)Vapour Pressure: 0.000278 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical is toxic. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing and gloves. In case of accident or if you feel unwell seek medical advice immediately (show the label where possible).

You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c1cc2c(cc1)NC(C2)C
(2)InChI: InChI=1/C9H10N2O2/c1-6-4-7-5-8(11(12)13)2-3-9(7)10-6/h2-3,5-6,10H,4H2,1H3
(3)InChIKey: JVOZJSSFSXFDAU-UHFFFAOYAN