3-Nitrophthalic anhydride supplier

Name
3-Nitrophthalic anhydride
EINECS 211-373-6
CAS No. 641-70-3
Article Data43
CAS DataBase
Density 1.687 g/cm³
Solubility may decompose with water
Melting Point 163-165 °C(lit.)
Formula C₈H₃NO₅
Boiling Point 411.8 °C at 760 mmHg
Molecular Weight 193.116
Flash Point 227.5 °C
Transport Information
Appearance beige to yellow crystalline powder
Safety 26-36-37/39
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms 1,3-Isobenzofurandione, 4-nitro-;Phthalic anhydride, 3-nitro-;4-Nitro-isobenzofuran-1,3-dione;Phthalic anhydride, 3-nitro- (8CI);4-nitroisobenzofuran-1,3-dione;
PSA 89.19000
LogP 1.42860

Synthetic route

: 603-11-2
3-nitrophthalic acid

: 641-70-3
3-nitrophthalic acid anhydride

Conditions

Conditions	Yield
With thionyl chloride; N,N-dimethyl-formamide In cyclohexane at 5 - 10℃; for 3.83333h; Time; Reagent/catalyst; Solvent; Temperature; Vilsmeier Reaction; Reflux;	98.9%
With acetic anhydride for 2h; Reflux;	95%
With acetic anhydride for 2h; Reflux;	95.8%

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

: 641-70-3
3-nitrophthalic acid anhydride

Conditions

Conditions	Yield
nitration reaction;	77%
Multi-step reaction with 2 steps 1: durch Nitrierung View Scheme
Multi-step reaction with 2 steps 1: sulfuric acid; fuming nitric acid 2: durch Erhitzen auf 230grad, oder durch Sublimation bei ca. 160-170grad View Scheme

: 91-20-3
naphthalene

: 641-70-3
3-nitrophthalic acid anhydride

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: nitric acid 2: durch Erhitzen auf 230grad, oder durch Sublimation bei ca. 160-170grad View Scheme

: 85-44-9
phthalic anhydride

: 641-70-3
3-nitrophthalic acid anhydride

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: durch Nitrierung View Scheme
Multi-step reaction with 2 steps 1: nitric acid; sulfuric acid / 80 - 110 °C 2: acetic anhydride / Reflux View Scheme

: 86-57-7
1-Nitronaphthalene

: 641-70-3
3-nitrophthalic acid anhydride

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: acetic acid; CrO3 2: durch Erhitzen auf 230grad, oder durch Sublimation bei ca. 160-170grad View Scheme

: 603-11-2
3-nitrophthalic acid

: 108-24-7
acetic anhydride

: 641-70-3
3-nitrophthalic acid anhydride

Conditions

Conditions	Yield
at 115 - 120℃; for 3h;

: 641-70-3
3-nitrophthalic acid anhydride

: 17395-99-2
3-aminophthalic anhydride

Conditions

Conditions	Yield
With palladium on activated carbon; hydrogen; magnesium sulfate In ethyl acetate under 760.051 Torr; for 18h;	100%
With palladium 10% on activated carbon; hydrogen In tetrahydrofuran under 15001.5 Torr; for 18h;	13%
With nickel; magnesium sulfate; acetone Hydrogenation;
With hydrogen; magnesium sulfate at 50℃; under 3102.97 Torr;
With hydrogen; magnesium sulfate In acetone at 50℃; under 3102.97 Torr;

: 641-70-3
3-nitrophthalic acid anhydride

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

: 1259938-74-3
C22H16N2O4

Conditions

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

: 641-70-3
3-nitrophthalic acid anhydride

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

: 1259938-76-5
C23H18N2O5

Conditions

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

: 641-70-3
3-nitrophthalic acid anhydride

: 3-aminopiperidine-2,6-dione hydrochloric acid salt

: 19171-18-7
4-NT

Conditions

Conditions	Yield
With potassium acetate; acetic acid at 90℃; for 16h;	99.5%
With sodium acetate In acetic acid at 130℃; for 48h;	92%
Stage #1: 3-nitrophthalic acid anhydride; 3-amino-piperidine-2,6-dione hydrogen chloride With triethylamine In toluene for 8h; Reflux; Stage #2: With 1,1'-carbonyldiimidazole In toluene at 20 - 25℃; for 2h;	84.2%
Stage #1: 3-amino-piperidine-2,6-dione hydrogen chloride With acetic acid at 25 - 35℃; Stage #2: 3-nitrophthalic acid anhydride at 25 - 35℃; Stage #3: With triethylamine at 25℃; Reflux;	141.60 g

: 4-(difluoromethoxy)-2-methylaniline

: 641-70-3
3-nitrophthalic acid anhydride

: N-(4-difluoromethoxy-2-methylphenyl)-3-nitrophthalimide

Conditions

Conditions	Yield
In acetic acid	98%
In acetic acid	98%

: 4-(1,1,2,3,3,3-hexafluoropropoxy)-1-methylaniline

: 641-70-3
3-nitrophthalic acid anhydride

: N-[4-(1,1,2,3,3,3-hexafluoropropoxy)-1-methylphenyl]-3-nitrophthalimide

Conditions

Conditions	Yield
In hexane; acetic acid	98%

: 6525-53-7, 16422-27-8, 40149-68-6
glutamic acid dimethyl ether

: 641-70-3
3-nitrophthalic acid anhydride

: 2-(1,3-dihydro-4-nitro-1,3-dioxo-2H-isoindol-2-yl)-glutaric acid dimethyl ester

Conditions

Conditions	Yield
With sodium acetate; acetic acid for 7h; Reagent/catalyst; Reflux;	97.6%

: 641-70-3
3-nitrophthalic acid anhydride

: 461-82-5
4-(trifluoromethoxy)aniline

: N-(4-trifluoromethoxyphenyl)-3-nitrophthalimide

Conditions

Conditions	Yield
In acetic acid	97%

: 56-84-8
L-Aspartic acid

: 641-70-3
3-nitrophthalic acid anhydride

: 2-(4-nitro-1,3-dioxoisoindolin-2-yl)succinic acid

Conditions

Conditions	Yield
With pyridine; acetic acid at 20℃; Reflux;	97%

: 641-70-3
3-nitrophthalic acid anhydride

: 56-12-2
4-amino-n-butyric acid

: 10264-75-2
4-(o-nitrophthalimido)butyric acid

Conditions

Conditions	Yield
With acetic acid at 100℃; for 3h;	96.5%
at 20 - 185℃; for 0.183333h; Microwave irradiation;	92%
	0.57 g (79%)

: 67-56-1
methanol

: 641-70-3
3-nitrophthalic acid anhydride

: 6744-85-0
2-(methoxycarbonyl)-3-nitrobenzoic acid

Conditions

Conditions	Yield
for 7h; Heating;	96%
for 16h; Reflux;	71%

: 641-70-3
3-nitrophthalic acid anhydride

: 31140-42-8
(RS)-(2,6-dioxopiperidin-3-yl)carbamic acid tert-butyl ester

: 19171-18-7
4-NT

Conditions

Conditions	Yield
With 2,2,2-trifluoroethanol at 150℃; for 2h; Microwave irradiation; Sealed tube;	95%
With sodium acetate; acetic acid for 6h; Reflux;

: 641-70-3
3-nitrophthalic acid anhydride

: 100-28-7
4-Nitrophenyl isocyanate

: 53555-13-8
4-nitro-2-(4-nitro-phenyl)-isoindoline-1,3-dione

Conditions

Conditions	Yield
In N,N-dimethyl acetamide for 0.0416667h;	94%

: 124-09-4
1,6-Hexanediamine

: 641-70-3
3-nitrophthalic acid anhydride

: C22H18N4O8

Conditions

Conditions	Yield
With acetic acid Heating;	94%

: 641-70-3
3-nitrophthalic acid anhydride

: 96385-50-1
3-nitrophthalamide

Conditions

Conditions	Yield
Stage #1: 3-nitrophthalic acid anhydride With ammonia In water at 0 - 60℃; for 12h; Stage #2: With hydrogenchloride In water	94%

: 641-70-3
3-nitrophthalic acid anhydride

: 3682-15-3
5-nitro-2,3-dihydro-phthalazine-1,4-dione

Conditions

Conditions	Yield
With hydrazine hydrate; acetic acid at 110℃; for 0.5h;	93.7%
With hydrazine hydrate In acetic acid at 110℃;	92%
With hydrazine hydrate In water; ethylene glycol for 1h; Reflux;	79%

: 56-85-9, 585-21-7, 5959-95-5, 6899-04-3
GLUTAMINE

: 641-70-3
3-nitrophthalic acid anhydride

: 6383-84-2
2-(4-nitro-1,3-dioxoisoindolin-2-yl)-4-carbamoylbutanoic acid

Conditions

Conditions	Yield
With sodium acetate; acetic acid for 7h; Reagent/catalyst; Reflux;	93.2%
In acetic acid

: 641-70-3
3-nitrophthalic acid anhydride

: 56-40-6
glycine

: 15784-35-7
2-(4-nitro-1,3-dioxoisoindolin-2-yl)acetic acid

Conditions

Conditions	Yield
With acetic acid at 120℃; for 6h;	93%
With acetic anhydride Reflux;	91%
With acetic acid Reflux;	80%

: 641-70-3
3-nitrophthalic acid anhydride

: (RS)-2,6-dioxopiperidin-3-yl-ammonium trifluoroacetate

: 19171-19-8
pomalidomide

Conditions

Conditions	Yield
Stage #1: 3-nitrophthalic acid anhydride; (RS)-2,6-dioxopiperidin-3-yl-ammonium trifluoroacetate With sodium acetate; acetic acid Reflux; Stage #2: With palladium on activated charcoal; hydrogen In N,N-dimethyl-formamide at 25℃;	93%

: 1477-55-0
1,3-di(aminomethyl)benzene

: 641-70-3
3-nitrophthalic acid anhydride

: C24H14N4O8

Conditions

Conditions	Yield
With acetic acid Heating;	92%

: 109-12-6
2-aminopyrimidine

: 641-70-3
3-nitrophthalic acid anhydride

: 3-nitro-N-pyrimidin-2-yl-phthalamic acid

Conditions

Conditions	Yield
In ethyl acetate	91%

: 641-70-3
3-nitrophthalic acid anhydride

: 56073-96-2
methyl N-[5(6)-(4-aminophenylsulfanyl)benzimidazol-2-yl]carbamate

: N-[4-(2-methoxycarbonylamino-1H-benzoimidazol-5-ylsulfanyl)-phenyl]-3-nitro-phthalamic acid

Conditions

Conditions	Yield
In dimethyl sulfoxide at 40 - 45℃; for 2h;	91%

: 641-70-3
3-nitrophthalic acid anhydride

: 99-92-3
4-Aminoacetophenone

: 2-(4-acetyl-phenyl)-4-nitro-isoindoline-1,3-dione

Conditions

Conditions	Yield
at 160℃; for 0.5h;	91%
With acetic acid for 18h; Reflux;	400 mg

: 641-70-3
3-nitrophthalic acid anhydride

: 24666-56-6
rac-α-aminoglutarimide hydrochloride

: 2-((2,6-dioxopiperidin-3-yl)carbamoyl)-3-nitrobenzoic acid

Conditions

Conditions	Yield
With triethylamine In tetrahydrofuran at 20℃; for 0.5h; Reagent/catalyst; Green chemistry;	91%
With triethylamine In tetrahydrofuran at 20℃; for 0.5h;	91%
With triethylamine In tetrahydrofuran at 20℃; for 0.5h;	91%

: 641-70-3
3-nitrophthalic acid anhydride

: 103-71-9
phenyl isocyanate

: 19065-85-1
3-nitro-N-phenylphthalimide

Conditions

Conditions	Yield
In N,N-dimethyl acetamide for 0.0416667h;	90%

: 641-70-3
3-nitrophthalic acid anhydride

: 103-72-0
phenyl isothiocyanate

: 19065-85-1
3-nitro-N-phenylphthalimide

Conditions

Conditions	Yield
In N,N-dimethyl acetamide for 0.0416667h;	90%

3-Nitrophthalic anhydride Chemical Properties

Molecule structure of 3-Nitrophthalic anhydride (CAS NO.641-70-3):

IUPAC Name: 4-Nitro-2-benzofuran-1,3-dione
Molecular Weight: 193.11312 g/mol
Molecular Formula: C₈H₃NO₅
Density: 1.687 g/cm³
Melting Point: 163-165 °C(lit.)
Boiling Point: 411.8 °C at 760 mmHg
Flash Point: 227.5 °C
Index of Refraction: 1.659
Molar Refractivity: 42.22 cm³
Molar Volume: 114.4 cm³
Polarizability: 16.74×10^-24 cm³
Surface Tension: 78.1 dyne/cm
Enthalpy of Vaporization: 66.43 kJ/mol
Vapour Pressure: 5.43E-07 mmHg at 25 °C
Storage Temp.: store at RT.
Water Solubility: may decompose
Sensitive Moisture: sensitive
XLogP3-AA: 1.1
H-Bond Acceptor: 5
Exact Mass: 193.001122
MonoIsotopic Mass: 193.001122
Topological Polar Surface Area: 86.5
Heavy Atom Count: 14
Canonical SMILES: C1=CC2=C(C(=C1)[N+](=O)[O-])C(=O)OC2=O
InChI: InChI=1S/C8H3NO5/c10-7-4-2-1-3-5(9(12)13)6(4)8(11)14-7/h1-3H
InChIKey: ROFZMKDROVBLNY-UHFFFAOYSA-N
EINECS: 211-373-6
Product Categories: Phthalic Acids, Esters and Derivatives; Dyes intermediates; Amines; Aromatics; Intermediates; Anhydride Monomers; Monomers; Polymer Science; Carbonyl Compounds; Carboxylic Acid Anhydrides; Organic Building Blocks

3-Nitrophthalic anhydride Uses

3-Nitrophthalic anhydride (CAS NO.641-70-3) is used an an intermediate for the synthesis of a benzimidazole PARP inhibitor I (succinate salt) (ABT-472).

3-Nitrophthalic anhydride Production

3-Nitrophthalic anhydride is maed by the 3-nitro-phthalic acid and hot acetic anhydride.

3-Nitrophthalic anhydride Safety Profile

Hazard Codes: Irritant Xi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36-37/39
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36:Wear suitable protective clothing.
S37/39:Wear suitable gloves and eye/face protection.
WGK Germany: 3
F: 10-21
HS Code: 29173980

3-Nitrophthalic anhydride Specification

3-Nitrophthalic anhydride (CAS NO.641-70-3) is also named as AI3-03720 ; NSC 27006 ; NSC 4134 ; 1,3-Isobenzofurandione, 4-nitro- ; Phthalic anhydride, 3-nitro- (8CI) . 3-Nitrophthalic anhydride (CAS NO.641-70-3) is beige to yellow crystalline powder. It is soluble in acetone, hot alcohol and hot acetic acid, slightly soluble in benzene, insoluble in water.

Product Name

3-Nitrophthalic anhydride

Synthetic route

3-Nitrophthalic anhydride Chemical Properties

3-Nitrophthalic anhydride Uses

3-Nitrophthalic anhydride Production

3-Nitrophthalic anhydride Safety Profile

3-Nitrophthalic anhydride Specification

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