CAS No.33632-27-8,1-Acetyl-5-nitroindoline Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	33632-27-8
Name:	1-Acetyl-5-nitroindoline
Article Data:	17

Formula:	C₁₀H₁₀N₂O₃
Molecular Weight:	206.201
Synonyms:	1H-Indole,1-acetyl-2,3-dihydro-5-nitro- (9CI);Indoline, 1-acetyl-5-nitro- (7CI,8CI);1-Acetyl-5-nitroindoline;N-Acetyl-5-nitroindoline;NSC 87626;
EINECS:	251-609-5
Density:	1.35 g/cm³
Melting Point:	175-176 °C(lit.)
Boiling Point:	466.4 °C at 760 mmHg
Flash Point:	235.9 °C
Appearance:	Yellow to beige crystalline powder
Risk Codes:	36/37/38
Safety:	24/25
PSA:	66.13000
LogP:	2.09200

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Specification

The CAS register number of Ethanone,1-(2,3-dihydro-5-nitro-1H-indol-1-yl)- is 33632-27-8. It also can be called as 1H-Indole,1-acetyl-2,3-dihydro-5-nitro- (9CI) and the systematic name about this chemical is 1-(5-nitro-2,3-dihydro-1H-indol-1-yl)ethanone. The molecular formula about this chemical is C₁₀H₁₀N₂O₃ and the molecular weight is 206.2.

Physical properties about Ethanone,1-(2,3-dihydro-5-nitro-1H-indol-1-yl)- are: (1)ACD/LogP: 1.61; (2)ACD/LogD (pH 5.5): 1.61; (3)ACD/LogD (pH 7.4): 1.61; (4)ACD/BCF (pH 5.5): 9.77; (5)ACD/BCF (pH 7.4): 9.77; (6)ACD/KOC (pH 5.5): 177.96; (7)ACD/KOC (pH 7.4): 177.96; (8)#H bond acceptors: 5; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 66.13 Å²; (11)Index of Refraction: 1.612; (12)Molar Refractivity: 53.13 cm³; (13)Molar Volume: 152.6 cm³; (14)Polarizability: 21.06x10^-24cm³; (15)Surface Tension: 57.8 dyne/cm; (16)Density: 1.35 g/cm³; (17)Flash Point: 235.9 °C; (18)Enthalpy of Vaporization: 72.82 kJ/mol; (19)Boiling Point: 466.4 °C at 760 mmHg; (20)Vapour Pressure: 7.1E-09 mmHg at 25 °C.

Preparation: this chemical can be prepared by 1-acetyl-2,3-dihydro-indole. This reaction will need reagent of NaNO₃, trifluoroacetic acid. The reaction time is 4 hours with ambient temperature. The yield is about 93%.

Uses of Ethanone,1-(2,3-dihydro-5-nitro-1H-indol-1-yl)-: it can be used to produce indol-5-ylamine. This reaction will need reagent of aluminium-nickel alloy, NaOH and solvent of H₂O. The reaction time is 1.5 hours. The yield is about 56%.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, avoid contact with skin and eyes.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c1cc2c(cc1)N(C(=O)C)CC2
(2)InChI: InChI=1/C10H10N2O3/c1-7(13)11-5-4-8-6-9(12(14)15)2-3-10(8)11/h2-3,6H,4-5H2,1H3
(3)InChIKey: OJKKTNFCWMBYMT-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C10H10N2O3/c1-7(13)11-5-4-8-6-9(12(14)15)2-3-10(8)11/h2-3,6H,4-5H2,1H3; (5)Std. InChIKey: OJKKTNFCWMBYMT-UHFFFAOYSA-N