Product Name

  • Name

    4-AMINOBENZOIC ACID SODIUM SALT

  • EINECS 209-080-3
  • CAS No. 555-06-6
  • Article Data14
  • CAS DataBase
  • Density
  • Solubility soluble in water
  • Melting Point >300 °C(lit.)
  • Formula C7H6NNaO2
  • Boiling Point 339.9 °C at 760 mmHg
  • Molecular Weight 159.12
  • Flash Point 159.4 °C
  • Transport Information
  • Appearance Yellow powder
  • Safety 26-36
  • Risk Codes 36/37/38
  • Molecular Structure Molecular Structure of 555-06-6 (4-AMINOBENZOIC ACID SODIUM SALT)
  • Hazard Symbols IrritantXi
  • Synonyms Benzoicacid, 4-amino-, monosodium salt (9CI);Benzoic acid, p-amino-, monosodium salt(8CI);Benzoic acid, p-amino-, sodium salt (4CI);Aminobenzoate sodium;Antergyl;Pabavit;Sodium 4-aminobenzoate;Sodium p-aminobenzoate;p-Aminobenzoic acid sodium salt;p-Anino benzenesulfonic acid sodium salt;
  • PSA 66.15000
  • LogP 0.21350

Synthetic route

4-amino-benzoic acid
150-13-0

4-amino-benzoic acid

sodium p-aminobenzoate
555-06-6

sodium p-aminobenzoate

Conditions
ConditionsYield
With sodium hydroxide In ethanol at 69.84℃; for 1h;92%
With sodium hydroxide In water90%
1,1,3,3-Tetramethoxypropan-2-on-(4-ethoxycarbonyl)phenylhydrazon
81494-74-8

1,1,3,3-Tetramethoxypropan-2-on-(4-ethoxycarbonyl)phenylhydrazon

A

sodium p-aminobenzoate
555-06-6

sodium p-aminobenzoate

B

2-Amino-1,1,3,3-tetramethoxypropan
81494-56-6

2-Amino-1,1,3,3-tetramethoxypropan

Conditions
ConditionsYield
With sodium hydroxide; hydrogen; nickel In methanol at 100℃; under 91938.4 Torr; for 100h;A n/a
B 75%
p-aminoethylbenzoate
94-09-7

p-aminoethylbenzoate

sodium p-aminobenzoate
555-06-6

sodium p-aminobenzoate

Conditions
ConditionsYield
With sodium hydroxide In ethanol at 25℃; Rate constant; var. solv.;
4-methoxycarbonyl aniline
619-45-4

4-methoxycarbonyl aniline

sodium p-aminobenzoate
555-06-6

sodium p-aminobenzoate

Conditions
ConditionsYield
With sodium hydroxide In ethanol at 25℃; Rate constant; var. solv.;
Mesoxaldialdehyd-2-(4-ethoxycarbonyl)phenylhydrazon
81494-73-7

Mesoxaldialdehyd-2-(4-ethoxycarbonyl)phenylhydrazon

sodium p-aminobenzoate
555-06-6

sodium p-aminobenzoate

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: 86 percent / conc. HCl / methanol / 1.) r. t., 2.) reflux, 30 min
2: H2, NaOH / Raney Ni / methanol / 100 h / 100 °C / 91938.4 Torr
View Scheme
sodium 4-nitrobenzoate
3847-57-2

sodium 4-nitrobenzoate

sodium p-aminobenzoate
555-06-6

sodium p-aminobenzoate

Conditions
ConditionsYield
With sodium tetrahydroborate In water at 39.84℃;
With sulfuric acid; tin(IV) oxide at 85℃; for 2h; Temperature;
With sodium tetrahydroborate; water at 0 - 20℃; for 24h; chemoselective reaction;
1-methyl-4-nitrobenzene
99-99-0

1-methyl-4-nitrobenzene

sodium p-aminobenzoate
555-06-6

sodium p-aminobenzoate

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: chromium(VI) oxide; acetic acid; hydrogenchloride / water / 0.5 h / 25 °C / pH 6
2: sodium hydroxide; titanium(IV) oxide / 70 °C
3: sulfuric acid; tin(IV) oxide / 2 h / 85 °C
View Scheme
4-nitro-benzoic acid
62-23-7

4-nitro-benzoic acid

sodium p-aminobenzoate
555-06-6

sodium p-aminobenzoate

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: sodium hydroxide; titanium(IV) oxide / 70 °C
2: sulfuric acid; tin(IV) oxide / 2 h / 85 °C
View Scheme
(3-chloropropyl)trimethylsilane
2344-83-4

(3-chloropropyl)trimethylsilane

sodium p-aminobenzoate
555-06-6

sodium p-aminobenzoate

trimethylsilyl-propyl-p-aminobenzoate

trimethylsilyl-propyl-p-aminobenzoate

Conditions
ConditionsYield
In N,N-dimethyl-formamide for 8h; Reflux;97%
sodium p-aminobenzoate
555-06-6

sodium p-aminobenzoate

acetaldehyde
75-07-0

acetaldehyde

sodium 4-hydroxy-2-methyl-1,2,3,4-tetrahydroquinoline-6-carboxylate

sodium 4-hydroxy-2-methyl-1,2,3,4-tetrahydroquinoline-6-carboxylate

Conditions
ConditionsYield
In water at 25℃; for 24h; Doebner-Miller reaction;95%
sodium p-aminobenzoate
555-06-6

sodium p-aminobenzoate

1,3-Dichloropropane
142-28-9

1,3-Dichloropropane

propane-1,3-diyl bis(4-aminobenzoate)
57609-64-0

propane-1,3-diyl bis(4-aminobenzoate)

Conditions
ConditionsYield
In N-methyl-acetamide; water95%
With sodium carbonate; dimethyl sulfoxide; 1,2-dichloro-ethane In water91.5%
methanol
67-56-1

methanol

nickel(II) chloride hexahydrate

nickel(II) chloride hexahydrate

sodium p-aminobenzoate
555-06-6

sodium p-aminobenzoate

[(4-amino-benzoate)2 nickel(II) (methanol)2]*methanol

[(4-amino-benzoate)2 nickel(II) (methanol)2]*methanol

Conditions
ConditionsYield
In methanol NiCl2*6H2O in methanol added to sodium 4-aminobenzoate in methanol; mixture refluxed for 2 h; light green crystals formed within one week; elem. anal.;95%
...Expand
vanadyl(IV) sulfate hydrate

vanadyl(IV) sulfate hydrate

sodium p-aminobenzoate
555-06-6

sodium p-aminobenzoate

oxovanadium(IV) bis(4-aminobenzoate)*H2O

oxovanadium(IV) bis(4-aminobenzoate)*H2O

Conditions
ConditionsYield
In methanol; water dropwise addn. of VO(SO4) in 50% MeOH/H2O soln. to sodium aminobenzoate in water, immediate pptn. of complex; filtered, washed (hot 50% MeOH/H2O), dried (vac., anhyd. silica gel); elem. anal.;94%
water
7732-18-5

water

europium(III) chloride
10025-76-0

europium(III) chloride

sodium p-aminobenzoate
555-06-6

sodium p-aminobenzoate

europium(III) p-aminobenzoate monohydrate

europium(III) p-aminobenzoate monohydrate

Conditions
ConditionsYield
In water byproducts: NaCl; elem. anal., TGA;93%
...Expand
water
7732-18-5

water

sodium p-aminobenzoate
555-06-6

sodium p-aminobenzoate

terbium(III) chloride
10042-88-3

terbium(III) chloride

terbium(III) p-aminobenzoate monohydrate

terbium(III) p-aminobenzoate monohydrate

Conditions
ConditionsYield
In water byproducts: NaCl; elem. anal.;92%
...Expand
bis(cyclopentadienyl)titanium dichloride
1271-19-8

bis(cyclopentadienyl)titanium dichloride

sodium p-aminobenzoate
555-06-6

sodium p-aminobenzoate

(C5H5)2Ti(OCOC6H4NH2)2

(C5H5)2Ti(OCOC6H4NH2)2

Conditions
ConditionsYield
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);88%
In not given
copper(II) choride dihydrate

copper(II) choride dihydrate

1,10-phenanthroline hydrochloride
3829-86-5

1,10-phenanthroline hydrochloride

sodium p-aminobenzoate
555-06-6

sodium p-aminobenzoate

[Cu(phen)2Cl]Cl*2p‑aminobenzoic acid*4H2O

[Cu(phen)2Cl]Cl*2p‑aminobenzoic acid*4H2O

Conditions
ConditionsYield
In methanol for 1h;88%
...Expand
tripropyltin chloride
2279-76-7

tripropyltin chloride

sodium p-aminobenzoate
555-06-6

sodium p-aminobenzoate

tri-n-propyltin(IV) p-aminobenzoate
112402-78-5

tri-n-propyltin(IV) p-aminobenzoate

Conditions
ConditionsYield
In ethanol byproducts: NaCl; refluxed in abs. EtOH for 3-4 h; concd., cooled, filtered, benzene was added to the filtrate, mixt. was refluxed for ca. 2 h in a Dean-Stark apparatus filtering off any sepd. NaCl, solvent was removed, residue was purified by extn. with light pertoleum; elem. anal.;85%
4,4'-bipyridine
553-26-4

4,4'-bipyridine

(2,2'-bipyridine)copper(II) nitrate

(2,2'-bipyridine)copper(II) nitrate

sodium perchlorate

sodium perchlorate

sodium p-aminobenzoate
555-06-6

sodium p-aminobenzoate

([(2,2'-bipyridine)semi(4,4'-bipyridine)(p-aminobenzoate)copper(II)] perchlorate semihydrate)(n)

([(2,2'-bipyridine)semi(4,4'-bipyridine)(p-aminobenzoate)copper(II)] perchlorate semihydrate)(n)

Conditions
ConditionsYield
In methanol refluxed for 2 h, cooled to room temp., a soln. of perhclorate added; ppt. dried (vac.); elem. anal.;85%
...Expand
4,4'-bipyridine
553-26-4

4,4'-bipyridine

copper (II) nitrate tetrahydrate

copper (II) nitrate tetrahydrate

sodium p-aminobenzoate
555-06-6

sodium p-aminobenzoate

catena-poly[[[μ-4,4'-bipyridyl-bis[aqua(p-aminobenzoato)copper(II)]]-di-μ-4,4'-bipyridyl] dinitrate tetrahydrate]

catena-poly[[[μ-4,4'-bipyridyl-bis[aqua(p-aminobenzoato)copper(II)]]-di-μ-4,4'-bipyridyl] dinitrate tetrahydrate]

Conditions
ConditionsYield
In methanol solns. of 4,4'-bipyridine and sodium p-NH2-benzoate in methanol added tosoln. of Cu(NO3)2*4H2O in methanol (1:1:1 molar ratio); heated under re flux for 2 h; ppt. filtered off and dried under vac.; elem. anal.;81%
...Expand
furfural
98-01-1

furfural

sodium p-aminobenzoate
555-06-6

sodium p-aminobenzoate

Sodium; 4-[(tetrahydro-furan-2-ylmethyl)-amino]-benzoate

Sodium; 4-[(tetrahydro-furan-2-ylmethyl)-amino]-benzoate

Conditions
ConditionsYield
With hydrogen; AV-17-8-Pd In ethanol at 45℃; under 750.06 Torr; Rate constant; Thermodynamic data; E(a);80%
With hydrogen; AV-17-8-Pd In ethanol at 45℃; under 750.06 Torr;80%
trimethyltin(IV)chloride
1066-45-1

trimethyltin(IV)chloride

sodium p-aminobenzoate
555-06-6

sodium p-aminobenzoate

trimethyltin(IV) p-aminobenzoate
77928-13-3

trimethyltin(IV) p-aminobenzoate

Conditions
ConditionsYield
In ethanol byproducts: NaCl; refluxed in abs. EtOH for 3-4 h; concd., cooled, filtered, benzene was added to the filtrate, mixt. was refluxed for ca. 2 h in a Dean-Stark apparatus filtering off any sepd. NaCl, solvent was removed, residue was purified by recrystn. from EtOH; elem. anal.;80%
tributyltin chloride
1461-22-9

tributyltin chloride

sodium p-aminobenzoate
555-06-6

sodium p-aminobenzoate

tri-n-butyltin(IV) p-aminobenzoate
23059-99-6

tri-n-butyltin(IV) p-aminobenzoate

Conditions
ConditionsYield
In ethanol byproducts: NaCl; refluxed in abs. EtOH for 3-4 h; concd., cooled, filtered, benzene was added to the filtrate, mixt. was refluxed for ca. 2 h in a Dean-Stark apparatus filtering off any sepd. NaCl, solvent was removed, residue was purified by extn. with light pertoleum; elem. anal.;80%
sodium p-aminobenzoate
555-06-6

sodium p-aminobenzoate

triphenyltin chloride
639-58-7

triphenyltin chloride

triphenyltin(IV) p-aminobenzoate
61057-42-9

triphenyltin(IV) p-aminobenzoate

Conditions
ConditionsYield
In ethanol byproducts: NaCl; refluxed in abs. EtOH for 3-4 h; concd., cooled, filtered, benzene was added to the filtrate, mixt. was refluxed for ca. 2 h in a Dean-Stark apparatus filtering off any sepd. NaCl, solvent was removed, residue was purified by washing with light petroleum; elem. anal.;80%
tricyclohexyltin(IV) chloride
3091-32-5

tricyclohexyltin(IV) chloride

sodium p-aminobenzoate
555-06-6

sodium p-aminobenzoate

tricyclohexyltin(IV) p-aminobenzoate
87414-52-6

tricyclohexyltin(IV) p-aminobenzoate

Conditions
ConditionsYield
In ethanol byproducts: NaCl; refluxed in abs. EtOH for 3-4 h; concd., cooled, filtered, benzene was added to the filtrate, mixt. was refluxed for ca. 2 h in a Dean-Stark apparatus filtering off any sepd. NaCl, solvent was removed, residue was purified by recrystn. from EtOH; elem. anal.;78%
sodium p-aminobenzoate
555-06-6

sodium p-aminobenzoate

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

tri(α-naphthyl)antimony(III) dichloride

tri(α-naphthyl)antimony(V) (OOCC6H4NH2-para)(Cl)

tri(α-naphthyl)antimony(V) (OOCC6H4NH2-para)(Cl)

Conditions
ConditionsYield
In methanol; benzene byproducts: NaCl; at reflux temp.; elem. anal.;78%
D-Glucose
2280-44-6

D-Glucose

sodium p-aminobenzoate
555-06-6

sodium p-aminobenzoate

Sodium; 4-((3R,4S,5S,6R)-3,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-ylamino)-benzoate
72108-61-3

Sodium; 4-((3R,4S,5S,6R)-3,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-ylamino)-benzoate

Conditions
ConditionsYield
In ethanol; water76%
diphenylantimony(III) chloride
2629-47-2

diphenylantimony(III) chloride

sodium p-aminobenzoate
555-06-6

sodium p-aminobenzoate

Sb(3+)*2C6H5(1-)*OCOC6H4NH2(1-)=(C6H5)2Sb(OCOC6H4NH2)

Sb(3+)*2C6H5(1-)*OCOC6H4NH2(1-)=(C6H5)2Sb(OCOC6H4NH2)

Conditions
ConditionsYield
In methanol byproducts: NaCl; at 40-80°C under anhydrous and oxygen free conditions; elem. anal.;75%
sodium p-aminobenzoate
555-06-6

sodium p-aminobenzoate

1,2-dichloro-ethane
107-06-2

1,2-dichloro-ethane

O,O'-bis(p-aminobenzoyl)-1,2-ethylebediol
10505-05-2

O,O'-bis(p-aminobenzoyl)-1,2-ethylebediol

Conditions
ConditionsYield
With sodium benzoate In N,N-dimethyl-formamide at 120℃; for 3h;74%
tribenzyltin(IV) chloride
3151-41-5

tribenzyltin(IV) chloride

sodium p-aminobenzoate
555-06-6

sodium p-aminobenzoate

tribenzyltin(IV) p-aminobenzoate

tribenzyltin(IV) p-aminobenzoate

Conditions
ConditionsYield
In ethanol byproducts: NaCl; refluxed in abs. EtOH for 3-4 h; concd., cooled, filtered, benzene was added to the filtrate, mixt. was refluxed for ca. 2 h in a Dean-Stark apparatus filtering off any sepd. NaCl, solvent was removed, residue was purified by washing with light petroleum; elem. anal.;70%
sodium p-aminobenzoate
555-06-6

sodium p-aminobenzoate

chlorobis(4-methylphenyl)antimony
87856-04-0

chlorobis(4-methylphenyl)antimony

Sb(3+)*2CH3C6H4(1-)*OCOC6H4NH2(1-)=(CH3C6H4)2Sb(OCOC6H4NH2)

Sb(3+)*2CH3C6H4(1-)*OCOC6H4NH2(1-)=(CH3C6H4)2Sb(OCOC6H4NH2)

Conditions
ConditionsYield
In methanol byproducts: NaCl; at 40-80°C under anhydrous and oxygen free conditions; elem. anal.;65%
mono-6-deoxy-6-(p-tolylsulphonyl)-β-cyclodextrin
67217-55-4

mono-6-deoxy-6-(p-tolylsulphonyl)-β-cyclodextrin

sodium p-aminobenzoate
555-06-6

sodium p-aminobenzoate

mono-6-O-p-aminobenzoyl-β-cyclodextrin
864380-54-1

mono-6-O-p-aminobenzoyl-β-cyclodextrin

Conditions
ConditionsYield
In N,N-dimethyl-formamide at 60℃; for 72h; Inert atmosphere;51%
(Cd(1,4,7,10-tetrakis((S)-2-hydroxy-3-phenoxypropyl)-1,4,7,10-tetrazacyclododecane))(ClO4)2

(Cd(1,4,7,10-tetrakis((S)-2-hydroxy-3-phenoxypropyl)-1,4,7,10-tetrazacyclododecane))(ClO4)2

sodium p-aminobenzoate
555-06-6

sodium p-aminobenzoate

(Cd(1,4,7,10-tetrakis((S)-2-hydroxy-3-phenoxypropyl)-1,4,7,10-tetrazacyclododecane)(p-aminobenzoate))ClO4

(Cd(1,4,7,10-tetrakis((S)-2-hydroxy-3-phenoxypropyl)-1,4,7,10-tetrazacyclododecane)(p-aminobenzoate))ClO4

Conditions
ConditionsYield
In acetonitrile sodium p-aminobenzoate was added to soln. (Cd((S)-thphpc12))(ClO4)2 in MeCN and refluxed for 2 h; react. mixt. was cooled to room temp., solvent was removed, residue was suspended in water and heated to boiling, MeCN was added, soln. was cooled slowly, ppt. was filtered; elem. anal.;50%
sodium p-aminobenzoate
555-06-6

sodium p-aminobenzoate

4-azidobenzoic acid
6427-66-3

4-azidobenzoic acid

Conditions
ConditionsYield
Stage #1: sodium p-aminobenzoate With p-toluenesulfonic acid monohydrate; sodium nitrite In water at 20℃; for 0.333333h;
Stage #2: With sodium azide In water at 20℃; for 0.5h;		50%
Tris(2-chloroethyl) phosphate
115-96-8

Tris(2-chloroethyl) phosphate

sodium p-aminobenzoate
555-06-6

sodium p-aminobenzoate

tris[2-(p-aminobenzoyloxy)ethyl] phosphate

tris[2-(p-aminobenzoyloxy)ethyl] phosphate

Conditions
ConditionsYield
With 2,6-di-tert-butyl-4-methyl-phenol; N-benzyl-N,N,N-triethylammonium chloride In N,N-dimethyl-formamide 1.) 110 deg C, 2 h, 2.) 130 deg C, 1 h;46%
sodium p-aminobenzoate
555-06-6

sodium p-aminobenzoate

pantolactone
79-50-5

pantolactone

(+/-)-4-(3-hydroxy-4,4-dimethyl-2-oxopyrrolidin-1-yl)benzoic acid
70006-36-9

(+/-)-4-(3-hydroxy-4,4-dimethyl-2-oxopyrrolidin-1-yl)benzoic acid

Conditions
ConditionsYield
at 190℃; for 72h;45%

Sodium aminobenzoate Specification

The Sodium aminobenzoate, with the CAS registry number 555-06-6, is also known as p-Aminobenzoic acid, sodium salt. It belongs to the product category of Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts. Its EINECS registry number is 209-080-3. This chemical's molecular formula is C7H6NNaO2 and molecular weight is 159.1178. Its IUPAC name is called sodium 4-aminobenzoate. This chemical can be used for biochemistry and organic synthesis. This chemical is yellow powder.

Physical properties of Sodium aminobenzoate: (1)ACD/LogP: 0.83; (2)ACD/LogD (pH 5.5): 0.11; (3)ACD/LogD (pH 7.4): -1.61; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 12.68; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 2; (11)Flash Point: 159.4 °C; (12)Enthalpy of Vaporization: 61.57 kJ/mol; (13)Boiling Point: 339.9 °C at 760 mmHg; (14)Vapour Pressure: 3.45E-05 mmHg at 25°C.

Preparation: this chemical can be prepared by aniline. This reaction will need reagent 98% sulfuric acid, sodium carbonate.

Uses of Sodium aminobenzoate: it can be used to produce sodium; 4-[(tetrahydro-furan-2-ylmethyl)-amino]-benzoate at temperature of 45 °C. This reaction will need reagent H2 and solvent ethanol. The yield is about 80%.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC(=CC=C1C(=O)[O-])N.[Na+]
(2)InChI: InChI=1S/C7H7NO2.Na/c8-6-3-1-5(2-4-6)7(9)10;/h1-4H,8H2,(H,9,10);/q;+1/p-1
(3)InChIKey: XETSAYZRDCRPJY-UHFFFAOYSA-M

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 2840mg/kg (2840mg/kg)   Medicinal Chemistry, A Series of Reviews. Vol. 6, Pg. 343, 1963.
mouse LD50 subcutaneous 3gm/kg (3000mg/kg)   Comptes Rendus des Seances de la Societe de Biologie et de Ses Filiales. Vol. 146, Pg. 466, 1952.
rat LD50 intravenous 2760mg/kg (2760mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: MUSCLE WEAKNESS		 Proceedings of the Society for Experimental Biology and Medicine. Vol. 49, Pg. 184, 1942.

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