CAS No.5410-97-9,3-Nitrodibenzofuran Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	5410-97-9
Name:	3-Nitrodibenzofuran
Article Data:	35

Formula:	C₁₂H₇NO₃
Molecular Weight:	213.19
Synonyms:	3-Nitrodibenzofuran;NSC 10862;
Density:	1.399 g/cm³
Melting Point:	181.5°C
Boiling Point:	379.6 °C at 760 mmHg
Flash Point:	183.4 °C
Hazard Symbols:	Xi,Xn
Risk Codes:	R36/37/38; R20/21/22
PSA:	58.96000
LogP:	4.01740

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Specification

The CAS register number of Dibenzofuran, 3-nitro- is 5410-97-9. It also can be called as 3-Nitrodibenzofuran and the IUPAC name about this chemical is 3-nitrodibenzofuran. The molecular formula about this chemical is C₁₂H₇NO₃and the molecular weight is 213.19. It belongs to the following product categories, such as Fluorobenzene; Furans and so on.

Physical properties about Dibenzofuran, 3-nitro- are: (1)ACD/LogP: 3.85; (2)ACD/LogD (pH 5.5): 3.85; (3)ACD/LogD (pH 7.4): 3.85; (4)ACD/BCF (pH 5.5): 496.62; (5)ACD/BCF (pH 7.4): 496.62; (6)ACD/KOC (pH 5.5): 2960.86; (7)ACD/KOC (pH 7.4): 2960.86; (8)#H bond acceptors: 4; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 58.96Å²; (11)Index of Refraction: 1.729; (12)Molar Refractivity: 60.78 cm³; (13)Molar Volume: 152.3 cm³; (14)Polarizability: 24.09x10^-24cm³; (15)Surface Tension: 60.2 dyne/cm; (16)Enthalpy of Vaporization: 60.31 kJ/mol; (17)Boiling Point: 379.6 °C at 760 mmHg; (18)Vapour Pressure: 1.26E-05 mmHg at 25°C.

Preparation: this chemical can be prepared by dibenzofuran. This reaction will need reagent HNO₃and TFA.

Uses of Dibenzofuran, 3-nitro-: it can be used to produce dibenzofuran-3-ylamine. This reaction will need reagent Fe, HCl.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c2ccc1c3ccccc3oc1c2
(2)InChI: InChI=1/C12H7NO3/c14-13(15)8-5-6-10-9-3-1-2-4-11(9)16-12(10)7-8/h1-7H
(3)InChIKey: UVFAHDAUVZRVCC-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C12H7NO3/c14-13(15)8-5-6-10-9-3-1-2-4-11(9)16-12(10)7-8/h1-7H
(5)Std. InChIKey: UVFAHDAUVZRVCC-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
rat	LD	oral	> 500mg/kg (500mg/kg)		National Academy of Sciences, National Research Council, Chemical-Biological Coordination Center, Review. Vol. 5, Pg. 24, 1953.