CAS No.5466-84-2,4-Nitrophthalic anhydride Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	5466-84-2
Name:	4-Nitrophthalic anhydride
Article Data:	26

Formula:	C₈H₃NO₅
Molecular Weight:	193.116
Synonyms:	Phthalicanhydride, 4-nitro- (6CI,7CI,8CI);4-Nitrophthalic acid anhydride;4-Nitrophthalic anhydride;5-Nitroisobenzofuran-1,3-dione;5-Nitrophthalicanhydride;NSC 26424;
EINECS:	226-776-2
Density:	1.687 g/cm³
Melting Point:	116-120 °C(lit.)
Boiling Point:	396.5 °C at 760 mmHg
Flash Point:	217.8 °C
Solubility:	Hydrolysis
Appearance:	off-white to light yellow-brown powder
Hazard Symbols:	Xn
Risk Codes:	20/22-36/37/38
Safety:	22-26
PSA:	89.19000
LogP:	1.42860

Synthetic route

: 610-27-5
4-nitrophthalic acid

: 5466-84-2
4-nitrophthalic anhydride

Conditions

Conditions	Yield
With acetic anhydride	93%
With acetic anhydride 1) 60 deg C, 1 h; 2) reflux, 10 min;	90%
With acetic anhydride for 0.333333h; Heating;	88%

: 88-99-3
benzene-1,2-dicarboxylic acid

: 5466-84-2
4-nitrophthalic anhydride

Conditions

Conditions	Yield
nitration reaction;	92%
Multi-step reaction with 2 steps 1: HNO3+H2SO4 2: 170 °C / durch Sublimation im Luftstrom bei 210grad View Scheme

: 610-27-5
4-nitrophthalic acid

: 108-24-7
acetic anhydride

: 5466-84-2
4-nitrophthalic anhydride

: 581-89-5
2-nitronaphthalene

air: air

titanium yl vanadate: titanium yl vanadate

pumice stone: pumice stone

A: 85-44-9
phthalic anhydride

B: 5466-84-2
4-nitrophthalic anhydride

Conditions

Conditions	Yield
at 325℃;

...Expand

: 99-51-4
4-nitro-o-xylene

: 5466-84-2
4-nitrophthalic anhydride

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: nitric acid / 170 - 180 °C / im geschlossenen Rohr 2: acetyl chloride View Scheme

: 85-44-9
phthalic anhydride

: 5466-84-2
4-nitrophthalic anhydride

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: nitric acid; sulfuric acid / 80 - 110 °C 2: acetic anhydride / Reflux View Scheme
Multi-step reaction with 2 steps 1.1: sulfuric acid / 0.17 h 1.2: 1 h / 70 °C 2.1: acetic anhydride / 2 h / 90 - 120 °C View Scheme

: 5466-84-2
4-nitrophthalic anhydride

: 5697-85-8
2-(2-phenylethyl)aniline

: 1259938-75-4
C22H16N2O4

Conditions

Conditions	Yield
With acetic acid for 3h; Reflux;	100%

: 5466-84-2
4-nitrophthalic anhydride

: 14802-10-9
4-[2-(4-methoxyphenyl)ethyl]aniline

: 1259938-77-6
C23H18N2O5

Conditions

Conditions	Yield
With acetic acid for 3h; Reflux;	100%

: 5466-84-2
4-nitrophthalic anhydride

: 62-53-3
aniline

: 40392-27-6
4-nitro-N-phenylphthalimide

Conditions

Conditions	Yield
With acetic acid at 120℃; Inert atmosphere;	98%
With acetic acid Reflux; Inert atmosphere;	98%
With acetic acid for 3h; Heating;	95%

: 5466-84-2
4-nitrophthalic anhydride

: 57-13-6
urea

: 7646-85-7
zinc(II) chloride

: (2,9,16,23-tetranitrophthalocyaninato)zinc(II)

Conditions

Conditions	Yield
With ammonium heptamolybdate In nitrobenzene react. at 180°C for 4 h;	98%

...Expand

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Specification

The 4-Nitrophthalic anhydride, with the CAS registry number 5466-84-2, has the IUPAC name of 5-nitro-2-benzofuran-1,3-dione. For being a kind of off-white to light yellow-brown powder, this chemical is sensitive to moisture and is incompatible with acids, strong oxidizing agents, alcohols, amines, and bases. And it could react exothermically with water. Besides, its product categories are including Anhydride Monomers; Monomers; Polymer Science; Carbonyl Compounds; Carboxylic Acid Anhydrides; Organic Building Blocks. What's more, it is used as fluorescent dyes intermediates of fluorescein isothiocyanate, and also for the determination of alcohols.

The characteristics of this chemical are as below: (1)ACD/LogP: 1.33; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 6; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 89.19; (7)Index of Refraction: 1.659; (8)Molar Refractivity: 42.22 cm³; (9)Molar Volume: 114.4 cm³; (10)Polarizability: 16.74 ×10^-24 cm³; (11)Surface Tension: 78.1 dyne/cm; (12)Density: 1.687 g/cm³; (13)Flash Point: 217.8 °C; (14)Enthalpy of Vaporization: 64.68 kJ/mol; (15)Boiling Point: 396.5 °C at 760 mmHg; (16)Vapour Pressure: 1.7E-06 mmHg at 25°C; (17)Exact Mass: 193.001122; (18)MonoIsotopic Mass: 193.001122; (19)Topological Polar Surface Area: 89.2; (20)Heavy Atom Count: 14; (21)Complexity: 307; (22)Covalently-Bonded Unit Count: 1.

When you are dealing with this chemical, you should be careful. For one thing, it is irritating to eyes, respiratory system and skin and may cause inflammation to the skin or other mucous membranes. For another thing, it is harmful which may cause damage to health. If by inhalation and if swallowed, it will be dangerous. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. And if in case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Then remember not to breathe dust.

In addition, you could convert the following datas into the molecular structure:
(1)Canonical SMILES: C1=CC2=C(C=C1[N+](=O)[O-])C(=O)OC2=O
(2)InChI: InChI=1S/C8H3NO5/c10-7-5-2-1-4(9(12)13)3-6(5)8(11)14-7/h1-3H
(3)InChIKey: MMVIDXVHQANYAE-UHFFFAOYSA-N