CAS No.16498-20-7,2,3-Dihydro-6-nitro-1,4-benzodioxin Suppliers

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Basic Information

Molecular Structure:
CAS No.:	16498-20-7
Name:	2,3-Dihydro-6-nitro-1,4-benzodioxin
Article Data:	16

Formula:	C₈H₇NO₄
Molecular Weight:	181.148
Synonyms:	1,4-Benzodioxan,6-nitro- (6CI,8CI);2,3-Dihydro-6-nitro-1,4-benzodioxin;6-Nitro-1,4-benzodioxan;
EINECS:	240-565-2
Density:	1.391 g/cm³
Melting Point:	120-124 ºC
Boiling Point:	297.2 °C at 760 mmHg
Flash Point:	150 °C
Appearance:	Yellow Solid
PSA:	64.28000
LogP:	1.88920

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Specification

The cas register number of 2,3-Dihydro-6-nitro-1,4-benzodioxin is 16498-20-7. It also can be called as 1,4-Benzodioxin, 2,3-dihydro-6-nitro- and the Systematic name about this chemical is 6-nitro-2,3-dihydro-1,4-benzodioxine.

Physical properties about 2,3-Dihydro-6-nitro-1,4-benzodioxin are: (1)ACD/LogP: 2.08; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.08; (4)ACD/LogD (pH 7.4): 2.08; (5)ACD/BCF (pH 5.5): 22.59; (6)ACD/BCF (pH 7.4): 22.59; (7)ACD/KOC (pH 5.5): 324.17; (8)ACD/KOC (pH 7.4): 324.17; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 64.28Å²; (13)Index of Refraction: 1.584; (14)Molar Refractivity: 43.57 cm³; (15)Molar Volume: 130.1 cm³; (16)Surface Tension: 57.2 dyne/cm; (17)Density: 1.391 g/cm³; (18)Flash Point: 150 °C; (19)Enthalpy of Vaporization: 51.55 kJ/mol; (20)Boiling Point: 297.2 °C at 760 mmHg; (21)Vapour Pressure: 0.00243 mmHg at 25°C.

People can use the following data to convert to the molecule structure.
1.SMILES: [O-][N+](=O)c1ccc2OCCOc2c1
2.InChI: InChI=1/C8H7NO4/c10-9(11)6-1-2-7-8(5-6)13-4-3-12-7/h1-2,5H,3-4H2
3.InChIKey: MQSGCURTKWHBRX-UHFFFAOYAX
4.Std. InChI: InChI=1S/C8H7NO4/c10-9(11)6-1-2-7-8(5-6)13-4-3-12-7/h1-2,5H,3-4H2