Sodium 3-nitrobenzoate supplier

Name
Sodium 3-nitrobenzoate
EINECS 212-578-3
CAS No. 827-95-2
Article Data4
CAS DataBase
Density 1.13g/cm³
Solubility Soluble in water.
Melting Point >300 °C
Formula C₇H₅NO₄.Na
Boiling Point 340.7 °C at 760 mmHg
Molecular Weight 189.103
Flash Point 157.5 °C
Transport Information UN 1325 4.1/PG 2
Appearance yellowish crystalline powder
Safety 16-26-36-36/37-22
Risk Codes 11-36/37/38-22
Molecular Structure
Hazard Symbols F,Xi
Synonyms Benzoicacid, 3-nitro-, sodium salt (9CI);Benzoic acid, m-nitro-, sodium salt (8CI);Sodium m-nitrobenzoate;
PSA 85.95000
LogP 0.48150

Synthetic route

: 90945-65-6
2-acetoxy-1-(3-nitrophenyl)ethanone

: 124-41-4
sodium methylate

A: 115-10-6
Dimethyl ether

B: 79-20-9
acetic acid methyl ester

C: 827-95-2
sodium m-nitrobenzoate

Conditions

Conditions	Yield
In methanol at 30℃; Rate constant; Mechanism; other temperature (10 to 30 deg C);

...Expand

: 85055-67-0
3-Nitro-benzoic acid 9H-fluoren-9-ylmethyl ester

A: 4425-82-5
9-methylene-fluorene

B: 827-95-2
sodium m-nitrobenzoate

Conditions

Conditions	Yield
With sodium methylate In methanol at 25℃; Rate constant; other reagent, other solvent;

: 99-61-6
3-nitro-benzaldehyde

: 827-95-2
sodium m-nitrobenzoate

Conditions

Conditions	Yield
With sodium hydroxide; sodium periodate; ruthenium trichloride In water at 35℃; Rate constant; Mechanism; other temperatures; dependence on the concentration of substrate;

: 121-92-6
3-nitrobenzoic acid

: 827-95-2
sodium m-nitrobenzoate

Conditions

Conditions	Yield
With sodium hydroxide

: 827-95-2
sodium m-nitrobenzoate

: 107-19-7
propargyl alcohol

: 108521-49-9
prop-2-yn-1-yl 3-nitrobenzoate

Conditions

Conditions	Yield
With tetra-(n-butyl)ammonium iodide; triethylamine In N,N-dimethyl-formamide for 4h; Heating;	90%

: 1282-40-2
dichlorobis(η5-methylcyclopentadienyl)titanium(IV)

: 827-95-2
sodium m-nitrobenzoate

: bis(methylcyclopentadienyl)bis(m-nitrobenzoate)titanium

Conditions

Conditions	Yield
In benzene 30°C, stirring, 12 h; removing pptd. salt by filtration, concg. filtrate in vac., addn. of petroleum ether, refrigerating at 0°C overnight, washing crystals with petroleum ether; elem. anal.;	82%

: 827-95-2
sodium m-nitrobenzoate

: 444307-81-7, 52762-61-5
tri(α-naphthyl)antimony(III) dichloride

: tri(α-naphthyl)antimony(V) (OOCC6H4NO2-meta)(Cl)

Conditions

Conditions	Yield
In methanol; benzene byproducts: NaCl; at reflux temp.; elem. anal.;	82%

: 1291-32-3
zirconocene dichloride

: 827-95-2
sodium m-nitrobenzoate

: bis(η5-cyclopentadienyl)zirconium(IV)(m-NO2C6H4)chloride

Conditions

Conditions	Yield
In benzene byproducts: NaCl; under N2; anhydrous sodium salt of acid, complex and benzene stirred for 10h at 30°C, pptn. of NaCl; filtered, concd. (reduced pressure), addn. of petroleum ether, recrystd. (benzene/petroleum ether), dried (vac.); elem. anal.;	75.2%

: manganese(II) perchlorate hexahydrate

: (S)-1,2-bis(1-methyl benzimidazol-2-yl)ethanol

: 827-95-2
sodium m-nitrobenzoate

: [Mn4((S)-1,2-bis(N-methyl-benzimidazol-2-yl)ethanol)4(m-nitrobenzoate)2](ClO4)2*5H2O

Conditions

Conditions	Yield
With triethylamine In ethanol for 3h; Inert atmosphere;	71%

...Expand

: 827-95-2
sodium m-nitrobenzoate

: 107-30-2
chloromethyl methyl ether

: 3-Nitrobenzoesaeure-methoxymethylester

Conditions

Conditions	Yield
In N,N,N,N,N,N-hexamethylphosphoric triamide for 4h; Ambient temperature;	69%

: Ni3(2,2'-dipyridylaminato)4(ClO4)2

: 827-95-2
sodium m-nitrobenzoate

: [Ni3(2,2'-dipyridylaminato)4(3-nitrobenzoato)2]

Conditions

Conditions	Yield
In methanol; water for 336h;	69%

: 827-95-2
sodium m-nitrobenzoate

: 79-07-2
Chloroacetamide

: 2-(3-Nitrobenzoyloxy)acetamid

Conditions

Conditions	Yield
In N,N-dimethyl-formamide at 90 - 95℃;	64%

: 827-95-2
sodium m-nitrobenzoate

: 958-96-3
3,3'-dinitro-1,1'-biphenyl

Conditions

Conditions	Yield
With copper(I) oxide; oxygen; palladium dichloride In water at 100℃; under 760.051 Torr; for 28h; Sealed tube; Green chemistry;	60%

: 1271-19-8
bis(cyclopentadienyl)titanium dichloride

: 827-95-2
sodium m-nitrobenzoate

: (C5H5)2Ti(OCOC6H4NO2)2

Conditions

Conditions	Yield
In benzene a mixt. of (η-C5H5)2TiCl2 and Na salt of the substituted benzoic acid in anhydrous benzene stirred at 30°C for 4 h; orange soln. filtered, concd., crystn. (refrigerator), recrystd. (benzene);	44%

: 827-95-2
sodium m-nitrobenzoate

: 13277-62-8
m-nitrobenzoyl bromide

Conditions

Conditions	Yield
With Oxalyl bromide In benzene for 2h; Heating;

: 827-95-2
sodium m-nitrobenzoate

: 4903-36-0
N-phenyl-benzimidoyl chloride

: 61582-63-6
N-(3-nitrobenzoyl)-N-phenylbenzamide

Conditions

Conditions	Yield
In 1,4-dioxane; water at 25℃; Rate constant; pH:7;

: 827-95-2
sodium m-nitrobenzoate

: 98-09-9
benzenesulfonyl chloride

: 107625-10-5
benzenesulfonic acid-(3-nitro-benzyl ester)

Conditions

Conditions	Yield
In methanol at 25℃; Rate constant; Kinetics; Thermodynamic data; ΔH(excit), ΔS(excit.), Ea, var. temperature;

: 827-95-2
sodium m-nitrobenzoate

: 34918-79-1
N-(4-nitro-phenyl)-benzimidoyl chloride

: N-(3-Nitro-benzoyl)-N-(4-nitro-phenyl)-benzamide

Conditions

Conditions	Yield
In 1,4-dioxane; water at 55℃; Rate constant; pH:7;

: 827-95-2
sodium m-nitrobenzoate

: 98386-18-6
(3-Nitrobenzoyloxy)essigsaeure

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 64 percent / dimethylformamide / 90 - 95 °C 2: 78 percent / conc. HCl / dioxane / 0.1 h / 75 °C View Scheme

: 827-95-2
sodium m-nitrobenzoate

: 7758-99-8
copper(II) sulfate

: copper meta-nitrobenzoate dihydrate

Conditions

Conditions	Yield
In water stoich. amts., 40-50°C;

: 29540-83-8
p-tolyl triflate

: 827-95-2
sodium m-nitrobenzoate

: 53812-68-3
4-methyl-3'-nitrobiphenyl

Conditions

Conditions	Yield
With tol-BINAP; copper(I) oxide; palladium(II) acetylacetonate; 1,10-Phenanthroline In 1-methyl-pyrrolidin-2-one at 170℃; for 16h;	11 %Chromat.

: 108-77-0
1,3,5-trichloro-2,4,6-triazine

: 827-95-2
sodium m-nitrobenzoate

: C24H12N6O12

Conditions

Conditions	Yield
In acetonitrile at 20℃; for 0.166667h;

: manganese(II) perchlorate hexahydrate

: S-1-(1H-benzimidazol-2-yl)2-(N-methyl-benzimidazol-2-yl)ethanol

: 827-95-2
sodium m-nitrobenzoate

: [Mn4(S-1-(1H-benzimidazol-2-yl)2-(N-methyl-benzimidazol-2-yl)ethanol)4(m-nitrobenzoate)2](ClO4)2*3H2O

Conditions

Conditions	Yield
With triethylamine In ethanol

...Expand

: Iron(III) nitrate nonahydrate

: cobalt(II) chloride hexahydrate

: 827-95-2
sodium m-nitrobenzoate

: C42H30CoFe2N6O28(1+)*NO3(1-)*2H2O

Conditions

Conditions	Yield
Stage #1: Iron(III) nitrate nonahydrate; cobalt(II) chloride hexahydrate; sodium m-nitrobenzoate In methanol for 4h; Stage #2: With dihydrogen peroxide In methanol for 5h; Reflux;

...Expand

Sodium 3-nitrobenzoate Specification

The Benzoic acid, 3-nitro-,sodium salt (1:1), with the CAS register number 827-95-2, is also called as 3-nitro-benzoicacisodiumsalt; 3-nitrobenzoic acid sodium salt; sodium m-nitrobenzoate; sodium 3-nitrobenzoate; sodium 3-nitrobenzoate trihydrate; m-nitrobenzoic acid sodium salt; sodium 3-nitrobenzoate hydrate; m-nitrobenzoic acid sodium.

The physical characteristics could be summarized as: (1)ACD/LogP: 1.82; (2)ACD/LogD (pH 5.5): -0.17; (3)ACD/LogD (pH 7.4): -1.26; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 2.38; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 5; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 83.12; (12)Flash Point: 157.5 °C; (13)Enthalpy of Vaporization: 61.67 kJ/mol; (14)Boiling Point: 340.7 °C at 760 mmHg; (15)Vapour Pressure: 3.26E-05 mmHg at 25°C.

This is a kind of off-white to yellow crystalline. As to its product categories, there are various, including acids, amides, anilides, anhydrides & salts, and aromatic carboxylic. This chemical is usually applied in organic synthesis intermediates.

This is irritating to eyes, respiratory system and skin and may even cause inflammation to the skin or other mucous membranes. And it is harmful if swallowed. Besides, it is highly flammable, for it may catch fire in contact with air, only needing brief contact with an ignition source and it has a very low flash point or evolve highly flammable gases in contact with water. So while dealing with this chemical, you should follow the instructions below. Do not breathe dust and wear suitable protective clothing and gloves while dealing with it. Besides, keep away from sources of ignition - No smoking, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice. If you need more safety information, you could refer to the WGK Germany 3.

In addition, you could refer to the following data information to get the molecular structure:
SMILES:[Na+].O=[N+]([O-])c1cc(C([O-])=O)ccc1
InChI:InChI=1/C7H5NO4.Na/c9-7(10)5-2-1-3-6(4-5)8(11)12;/h1-4H,(H,9,10);/q;+1/p-1
InChIKey:MUADFEZFSKAZLT-REWHXWOFAY

Product Name

Sodium 3-nitrobenzoate

Synthetic route

Sodium 3-nitrobenzoate Specification

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