Trinitrofluorenone supplier

Name
2,4,7-TRINITRO-9-FLUORENONE
EINECS 204-965-0
CAS No. 129-79-3
Article Data19
CAS DataBase
Density 1.747 g/cm³
Solubility
Melting Point 176-178°C
Formula C13H5 N3 O7
Boiling Point 561.7 °C at 760 mmHg
Molecular Weight 315.199
Flash Point 292.3 °C
Transport Information 387
Appearance
Safety Suspected carcinogen with experimental tumorigenic data. Mildly toxic by ingestion. Human mutation data reported. A skin and eye irritant. When heated to decomposition it emits highly toxic fumes of NO_x. See also NITRO COMPOUNDS of AROMATIC HYDROCARBONS and KETONES.
Analytical Methods:

For occupational chemical analysis use NIOSH: see 2,4,7-TRINITROFLUOREN-9-ONE.
Risk Codes 23/24/25-33
Molecular Structure
Hazard Symbols Suspected carcinogen. Mildly toxic by ingestion. A skin and eye irritant.
Synonyms Fluoren-9-one,2,4,7-trinitro- (6CI,7CI,8CI); 2,4,7-Trinitro-9H-fluoren-9-one;2,4,7-Trinitrofluoren-9-one; 2,4,7-Trinitrofluorenone; 2,4,7-Trinitrofluorone;9-Oxo-2,4,7-trinitrofluorene; NSC 12367; TNF; TNF (ketone)
PSA 154.53000
LogP 4.19220

Synthetic route

: 486-25-9
9-fluorenone

: 129-79-3
2,4,7-trinitrofluorene-9-one

Conditions

Conditions	Yield
With sulfuric acid; nitric acid In water for 2h; Reflux; regioselective reaction;	94%
With sulfuric acid; nitric acid at 70℃;	93%
With sulfuric acid; nitric acid In water for 2h; Reflux;	82%

: 34263-36-0
2,4,7-trinitrofluorene

: 129-79-3
2,4,7-trinitrofluorene-9-one

Conditions

Conditions	Yield
With sodium dichromate; acetic acid In water at 95℃; for 2h;	79%

: 47430-58-0
2,4,7-tri-nitro-9,10-phenanthrenequinone

: 129-79-3
2,4,7-trinitrofluorene-9-one

Conditions

Conditions	Yield
With copper(l) chloride In N,N-dimethyl-formamide at 100℃; for 5h; Reagent/catalyst;	76%

: 1172-02-7
9-dicyanomethylene-2,4,7-trinitrofluorene

: 74959-64-1
2-(4-methoxybenzylidene)-N-phenylhydrazinecarbothioamide

A: 1093399-53-1
4-amino-1-(4-methoxybenzoyl)-2,7-dinitro-4'-phenylspiro(fluoren-9,3'-[1,2,4]triazolidine)-5'-thione

B: 129-79-3
2,4,7-trinitrofluorene-9-one

C: 84409-01-8
4-amino-2,7-dinitro-9-fluorenone

D: 74959-57-2
phenyl-(5-(4-methoxyphenyl)-3H-[1,3,4]thiadiazol-2-ylidene)amine

Conditions

Conditions	Yield
With pyridine at 100℃; for 5h; Further byproducts.;	A 56% B n/a C n/a D 7%

...Expand

: 1172-02-7
9-dicyanomethylene-2,4,7-trinitrofluorene

: 13431-41-9
4-benzylthiosemicarbazide

A: (4-benzylthiosemicarbazono)propanedinitrile

B: 4-amino-4'-benzyl-2,7-dinitro-4',5'-dihydrospiro[fluoren-9,3'-(1,2,4-triazole)]-5'-thione

C: 129-79-3
2,4,7-trinitrofluorene-9-one

D: 84409-01-8
4-amino-2,7-dinitro-9-fluorenone

Conditions

Conditions	Yield
In pyridine for 3h; Heating; Further byproducts given;	A 23% B 23% C n/a D n/a

...Expand

: 72391-95-8
4-nitro-9-fluorenone

: 129-79-3
2,4,7-trinitrofluorene-9-one

Conditions

Conditions	Yield
With nitric acid at 100℃;

2.5-dinitro-fluorenone-(9): 2.5-dinitro-fluorenone-(9)

: 129-79-3
2,4,7-trinitrofluorene-9-one

Conditions

Conditions	Yield
With nitric acid

2.7-dinitro-fluorenone-(9): 2.7-dinitro-fluorenone-(9)

: 129-79-3
2,4,7-trinitrofluorene-9-one

Conditions

Conditions	Yield
With nitric acid

: 486-25-9
9-fluorenone

: 7664-93-9
sulfuric acid

: 7697-37-2
nitric acid

: 129-79-3
2,4,7-trinitrofluorene-9-one

...Expand

: 72391-95-8
4-nitro-9-fluorenone

: 7697-37-2
nitric acid

: 129-79-3
2,4,7-trinitrofluorene-9-one

: 129-79-3
2,4,7-trinitrofluorene-9-one

: 90053-09-1
4-(9H-9-carbazolyl)butanoic acid

: 102737-76-8
2,7-dihydroxy-3,6,10,11-tetrakis(pentyloxy)triphenylene

: 4-carbazol-9-yl-butyric acid 7-(4-carbazol-9-yl-butyryloxy)-3,6,10,11-tetrakis-pentyloxy-triphenylen-2-yl ester

Conditions

Conditions	Yield
Stage #1: 4-(9H-9-carbazolyl)butanoic acid With dmap; dicyclohexyl-carbodiimide In dichloromethane at 0℃; for 0.5h; Stage #2: 2,4,7-trinitrofluorene-9-one; 2,7-dihydroxy-3,6,10,11-tetrakis(pentyloxy)triphenylene In dichloromethane at 20℃; for 24h;	100%

...Expand

: 129-79-3
2,4,7-trinitrofluorene-9-one

: 109-77-3
malononitrile

: 1172-02-7
9-dicyanomethylene-2,4,7-trinitrofluorene

Conditions

Conditions	Yield
In methanol for 2.5h; Knoevenagel Condensation; Reflux;	98%
With piperidine In methanol

: 129-79-3
2,4,7-trinitrofluorene-9-one

: 903-53-7
4-bromo-2,5,7-trinitrofluorene-9-one

Conditions

Conditions	Yield
With sulfuric acid; bromine; nitric acid at 80 - 85℃;	96%
With sulfuric acid; bromine; nitric acid at 80 - 85℃; for 2h;	96%
With sulfuric acid; bromine; nitric acid at 55 - 60℃; for 2h;	58%

: 129-79-3
2,4,7-trinitrofluorene-9-one

: 121213-96-5
2,6-diisopropyl-3-nitrobenzeneamine

: N-(2,4,7-trinitrofluorenylidene)-2,6-diisopropyl-3-nitroaniline

Conditions

Conditions	Yield
With zinc(II) chloride at 150 - 170℃;	92%

: 129-79-3
2,4,7-trinitrofluorene-9-one

: 81090-34-8
4-bromo-2-isopropyl-aniline

: N-(2,4,7-trinitrofluorenylidene)-4-bromo-2-isopropylaniline

Conditions

Conditions	Yield
With zinc(II) chloride at 150 - 170℃;	92%

: 129-79-3
2,4,7-trinitrofluorene-9-one

: 87-60-5
3-chloro-2-methylbenzenamine

: (3-Chloro-2-methyl-phenyl)-[2,4,7-trinitro-fluoren-(9E)-ylidene]-amine

Conditions

Conditions	Yield
With zinc(II) chloride at 150 - 170℃;	92%

: 129-79-3
2,4,7-trinitrofluorene-9-one

: 6310-21-0
2-(1,1-dimethylethyl)-benzenamine

: 2-tert-butyl-N-(2,4,7-trinitrofluorenylidene)aniline

Conditions

Conditions	Yield
With zinc(II) chloride at 135 - 140℃; for 1.5h;	90%

: 129-79-3
2,4,7-trinitrofluorene-9-one

: 95-53-4
o-toluidine

: 2-methyl-N-(2,4,7-trinitrofluorenylidene)aniline

Conditions

Conditions	Yield
With zinc(II) chloride at 195 - 200℃; for 6h;	88%

: 129-79-3
2,4,7-trinitrofluorene-9-one

: 109-79-5
1-butanethiol

: 90685-68-0
9,9-bis(n-butylthio)-2,4,7-trinitrofluorene

Conditions

Conditions	Yield
With aluminium trichloride In nitromethane for 0.5h; Ambient temperature;	87%

: 129-79-3
2,4,7-trinitrofluorene-9-one

: 2-((perfluorobutyl)thio)aniline

: 2-nonafluorobutylthio-N-(2,4,7-trinitrofluorenylidene)aniline

Conditions

Conditions	Yield
With zinc(II) chloride at 160 - 165℃; for 3h;	87%

: 129-79-3
2,4,7-trinitrofluorene-9-one

: 643-28-7
2-isopropylaniline

: 2-isopropyl-N-(2,4,7-trinitrofluorenylidene)aniline

Conditions

Conditions	Yield
With zinc(II) chloride at 160 - 165℃; for 4h;	87%

: 129-79-3
2,4,7-trinitrofluorene-9-one

: 643-28-7
2-isopropylaniline

: N-(2,4,7-trinitrofluorenylidene)-2-isopropylaniline

Conditions

Conditions	Yield
With zinc(II) chloride at 150 - 170℃;	87%

: 129-79-3
2,4,7-trinitrofluorene-9-one

: 328-74-5
3,5-Bis-(trifluoromethyl)aniline

: 3,5-bis(trifluoromethyl)-N-(2,4,7-trinitrofluorenylidene)aniline

Conditions

Conditions	Yield
With zinc(II) chloride at 200 - 205℃; for 2h;	86%

: 129-79-3
2,4,7-trinitrofluorene-9-one

: Au3(MeN=COMe)3

: 340017-16-5
[Au3(MeN=COMe)3]*[2,4,7-trinitro-9-fluorenone]

Conditions

Conditions	Yield
In dichloromethane adding soln. of fluorenone deriv. in CH2Cl2 to soln. of Au complex in CH2Cl2, shaking for a few minutes; filtration, concn. under reduced pressure, crystn. by layering with EtOHand standing for several days at room temp., washing crystals with Et2O , drying in vac.;	86%

: 129-79-3
2,4,7-trinitrofluorene-9-one

: 24544-04-5
2,6-diisopropylbenzenamine

: N-(2,4,7-trinitrofluorenylidene)-2,6-diisopropylaniline

Conditions

Conditions	Yield
With zinc(II) chloride at 150 - 170℃;	85%

: 129-79-3
2,4,7-trinitrofluorene-9-one

: 129012-68-6
4-(1'-methylethylideneaminooxy)butanoic acid

: 4-(2,4,7-trinitro-fluoren-9-ylideneaminooxy)-butyric acid

Conditions

Conditions	Yield
With sulfuric acid In acetic acid at 70℃; for 18h; Dean-Stark;	82%

: 129-79-3
2,4,7-trinitrofluorene-9-one

: 84408-99-1
4-hydroxy-2,7-dinitrofluorenone

Conditions

Conditions	Yield
With water In N,N,N,N,N,N-hexamethylphosphoric triamide three month at r.t.;	80%
With water In N,N,N,N,N,N-hexamethylphosphoric triamide

: 129-79-3
2,4,7-trinitrofluorene-9-one

: 98-16-8
3-trifluoromethylaniline

: 3-trifluoromethyl-N-(2,4,7-trinitrofluorenylidene)aniline

Conditions

Conditions	Yield
With zinc(II) chloride at 190 - 195℃; for 1.5h;	80%

: 129-79-3
2,4,7-trinitrofluorene-9-one

: 340017-22-3
[Au3(CH3NCOC2H5)3]

: 340017-26-7
[Au3(MeN=COEt)3]2*[2,4,7-trinitro-9-fluorenone]

Conditions

Conditions	Yield
In dichloromethane adding soln. of fluorenone deriv. in CH2Cl2 to soln. of Au complex in CH2Cl2; filtration, concn. under reduced pressure, crystn. by layering with EtOHand standing for several days at room temp., washing crystals with hexa ne, drying in vac.;	78%

: 129-79-3
2,4,7-trinitrofluorene-9-one

: 82766-04-9
3,8,10-trinitro-6H-dibenzopyran-6-one

Conditions

Conditions	Yield
With sulfuric acid; dihydrogen peroxide	76%

: 129-79-3
2,4,7-trinitrofluorene-9-one

: 21524-36-7
2,4,6-triisopropylaniline

: N-(2,4,7-trinitrofluorenylidene)-2,4,6-triisopropylaniline

Conditions

Conditions	Yield
With zinc(II) chloride at 150 - 170℃;	75%

: 129-79-3
2,4,7-trinitrofluorene-9-one

: 6673-15-0
2-(4-dimethylaminophenyl)ethylene-1,1,2-tricarbonitrile

: 72558-73-7
2,4,7-Trinitro-fluoren-9-one; compound with 2-cyano-3-(4-dimethylamino-phenyl)-but-2-enedinitrile

Conditions

Conditions	Yield
In ethanol for 15h;	74%

: 129-79-3
2,4,7-trinitrofluorene-9-one

: 578-54-1
ortho-ethylaniline

: 2-ethyl-N-(2,4,7-trinitrofluorenylidene)aniline

Conditions

Conditions	Yield
With zinc(II) chloride at 175 - 180℃; for 6h;	73%

: 129-79-3
2,4,7-trinitrofluorene-9-one

: 62-53-3
aniline

: 6632-95-7
N-(2,4,7-trinitrofluorenylidene)aniline

Conditions

Conditions	Yield
With zinc(II) chloride at 185 - 190℃; for 1h;	73%

: 129-79-3
2,4,7-trinitrofluorene-9-one

: 62-53-3
aniline

: N-(2,4,7-trinitrofluorenylidene)aniline

Conditions

Conditions	Yield
With zinc(II) chloride at 150 - 170℃;	73%

: 129-79-3
2,4,7-trinitrofluorene-9-one

: propane-2-one-O-(11-hydroxyundecyl)oxim

: 364358-08-7
((Z,E)-2,4,7-trinitro-9-fluorenylideneaminooxy)undecan-11-ol

Conditions

Conditions	Yield
Stage #1: 2,4,7-trinitrofluorene-9-one; propane-2-one-O-(11-hydroxyundecyl)oxim With toluene-4-sulfonic acid In acetic acid Heating; Stage #2: With toluene-4-sulfonic acid In ethanol for 16h; Heating;	73%

: 129-79-3
2,4,7-trinitrofluorene-9-one

: 1347703-32-5
C82H101N9Zn2

: 1451014-51-9
C82H101N9Zn2*C13H5N3O7

Conditions

Conditions	Yield
In chloroform at 20℃; for 0.166667h;	72%

Trinitrofluorenone Chemical Properties

Molecular Structure of Trinitrofluorenone (CAS NO.129-79-3):

EINECS: 204-965-0
IUPAC Name: 2,4,7-Trinitrofluoren-9-one
Molecular Formula: C₁₃H₅N₃O₇
Molecular Weight: 315.194700 g/mol
XLogP3: 2.4
H-Bond Donor: 0
H-Bond Acceptor: 7
Canonical SMILES: C1=CC2=C(C=C1[N+](=O)[O-])C(=O)C3=CC(=CC(=C23)[N+](=O)[O-])[N+](=O)[O-]
InChI: InChI=1S/C13H5N3O7/c17-13-9-3-6(14(18)19)1-2-8(9)12-10(13)4-7(15(20)21)5-11(12)16(22)23/h1-5H
InChIKey: VHQGURIJMFPBKS-UHFFFAOYSA-N
Index of Refraction: 1.751
Molar Refractivity: 73.56 cm³
Molar Volume: 180.3 cm³
Surface Tension: 93.4 dyne/cm
Density: 1.747 g/cm³
Flash Point: 292.3 °C
Enthalpy of Vaporization: 84.47 kJ/mol
Boiling Point: 561.7 °C at 760 mmHg
Vapour Pressure: 1.2E-12 mmHg at 25 °C
Melting Point: 176-178°C
Water Solubility: 2.712 mg/L at 25 °C

Trinitrofluorenone Toxicity Data With Reference

1.	skn-rbt 500 mg/24H MLD	EPASR* United States Environmental Protection Agency, Office of Pesticides and Toxic Substances. (U.S. Environmental Protection Agency, 401M St., S.W., Washington, DC 20460) History Unknown 8EHQ-0480-0339 .
2.	eye-rbt 100 mg MLD	EPASR* United States Environmental Protection Agency, Office of Pesticides and Toxic Substances. (U.S. Environmental Protection Agency, 401M St., S.W., Washington, DC 20460) History Unknown 8EHQ-0480-0339 .
3.	mma-sat 10 µL/plate	EPASR* United States Environmental Protection Agency, Office of Pesticides and Toxic Substances. (U.S. Environmental Protection Agency, 401M St., S.W., Washington, DC 20460) History Unknown 8EHQ-0280-0333 .
4.	sce-hmn:lym 3 mg/L	MUREAV Mutation Research. 138 (1984),181.
5.	orl-rat LD50:9910 mg/kg	PESTC* Pesticide and Toxic Chemical News. 8 (1980),4.

Trinitrofluorenone Consensus Reports

Reported in EPA TSCA Inventory.

Trinitrofluorenone Safety Profile

Safety Information of Trinitrofluorenone (CAS NO.129-79-3):
Risk Statements: 23/24/25-33
R23/24/25:Toxic by inhalation, in contact with skin and if swallowed
R33:Danger of cumulative effects
Safety Statements: 9-16-36/37/39
S9:Keep container in a well-ventilated place
S16:Keep away from sources of ignition
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection
RIDADR: 387
HazardClass: 1.1D
PackingGroup: II
Suspected carcinogen with experimental tumorigenic data. Mildly toxic by ingestion. Human mutation data reported. A skin and eye irritant. When heated to decomposition it emits highly toxic fumes of NO_x. See also NITRO COMPOUNDS of AROMATIC HYDROCARBONS and KETONES.

Trinitrofluorenone Standards and Recommendations

DFG MAK: Confirmed Animal Carcinogen with Unknown Relevance to Humans

Trinitrofluorenone Analytical Methods

For occupational chemical analysis use NIOSH: see 2,4,7-TRINITROFLUOREN-9-ONE.

Trinitrofluorenone Specification

Trinitrofluorenone is pale yellow needles or yellow powder with CAS Registry Number of 129-79-3. It is also called for 2,4,7-Trinitro-9H-fluoren-9-one ; 2,4,7-Trinitrofluorenone ; 2,4,7-Trinitrofluoren-9-one ; 2,4,7-Trinitrofluorenone ; 2,4,7-Trinitrofluorone ; 9H-Fluoren-9-one, 2,4,7-trinitro- ; AI3-17164 ; CCRIS 1298 ; Fluoren-9-one, 2,4,7-trinitro- ; HSDB 5408 ; NSC 12367 ; TNF ; TNF (ketone) ; 9H-Fluoren-9-one, 2,4,7-trinitro- . Trinitrofluorenone is often used as a chemical reagent.

Product Name

2,4,7-TRINITRO-9-FLUORENONE

Synthetic route

Trinitrofluorenone Chemical Properties

Trinitrofluorenone Toxicity Data With Reference

Trinitrofluorenone Consensus Reports

Trinitrofluorenone Safety Profile

Trinitrofluorenone Standards and Recommendations

Trinitrofluorenone Analytical Methods

Trinitrofluorenone Specification

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