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Name	Sodium 3-nitrobenzoate	EINECS	212-578-3
CAS No.	827-95-2	Density	1.13g/cm³
PSA	85.95000	LogP	0.48150
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;	Article Data	4

Sodium 3-nitrobenzoate 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);

: 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%

: 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%

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

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