-
Name
7-NITRO-2,3-DIHYDRO-BENZO[1,4]DIOXIN-6-YLAMINE
- EINECS
- CAS No. 62140-78-7
- Article Data8
- CAS DataBase
- Density 1.48 g/cm3
- Solubility
- Melting Point
- Formula C8H8N2O4
- Boiling Point 382.4 °C at 760 mmHg
- Molecular Weight 196.163
- Flash Point 185.1 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms 7-Nitro-2,3-dihydro-1,4-benzodioxin-6-amine;6-Nitro-2,3-dihydro-1,4-benzodioxin-7-amine;
- PSA 90.30000
- LogP 2.05260
1,4-Benzodioxin-6-amine,2,3-dihydro-7-nitro- Specification
The 1,4-Benzodioxin-6-amine,2,3-dihydro-7-nitro- is an organic compound with the formula C8H8N2O4. The IUPAC name of this chemical is 6-Nitro-2,3-dihydro-1,4-benzodioxin-7-amine. With the CAS registry number 62140-78-7, it is also named as 7-Nitro-2,3-dihydro-benzo[1,4]dioxin-6-ylamine. Besides, its molecular weight is 196.16.
The physical properties of 1,4-Benzodioxin-6-amine,2,3-dihydro-7-nitro- are: (1)ACD/LogP: 1.84; (2)ACD/LogD (pH 5.5): 1.84; (3)ACD/LogD (pH 7.4): 1.84; (4)ACD/BCF (pH 5.5): 14.77; (5)ACD/BCF (pH 7.4): 14.77; (6)ACD/KOC (pH 5.5): 239.18; (7)ACD/KOC (pH 7.4): 239.19; (8)#H bond acceptors: 6; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 67.52 Å2; (12)Index of Refraction: 1.641; (13)Molar Refractivity: 47.8 cm3; (14)Molar Volume: 132.4 cm3; (15)Polarizability: 18.95×10-24 cm3; (16)Surface Tension: 70.5 dyne/cm; (17)Density: 1.48 g/cm3; (18)Flash Point: 185.1 °C; (19)Enthalpy of Vaporization: 63.08 kJ/mol; (20)Boiling Point: 382.4 °C at 760 mmHg; (21)Vapour Pressure: 4.74E-06 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c2c(cc1OCCOc1c2)N
(2)InChI: InChI=1/C8H8N2O4/c9-5-3-7-8(14-2-1-13-7)4-6(5)10(11)12/h3-4H,1-2,9H2
(3)InChIKey: FPLCYUDKBMTETP-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C8H8N2O4/c9-5-3-7-8(14-2-1-13-7)4-6(5)10(11)12/h3-4H,1-2,9H2
(5)Std. InChIKey: FPLCYUDKBMTETP-UHFFFAOYSA-N
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