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555-06-6

Basic Information
CAS No.: 555-06-6
Name: 4-AMINOBENZOIC ACID SODIUM SALT
Article Data: 14
Molecular Structure:
Molecular Structure of 555-06-6 (4-AMINOBENZOIC ACID SODIUM SALT)
Formula: C7H6NNaO2
Molecular Weight: 159.12
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;
EINECS: 209-080-3
Melting Point: >300 °C(lit.)
Boiling Point: 339.9 °C at 760 mmHg
Flash Point: 159.4 °C
Solubility: soluble in water
Appearance: Yellow powder
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-36
PSA: 66.15000
LogP: 0.21350
Synthetic route
150-13-0

4-amino-benzoic acid

555-06-6

sodium p-aminobenzoate

Conditions
ConditionsYield
With sodium hydroxide In ethanol at 69.84℃; for 1h;92%
With sodium hydroxide In water90%
81494-74-8

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

A

555-06-6

sodium p-aminobenzoate

B

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%
94-09-7

p-aminoethylbenzoate

555-06-6

sodium p-aminobenzoate

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

4-methoxycarbonyl aniline

555-06-6

sodium p-aminobenzoate

Conditions
ConditionsYield
With sodium hydroxide In ethanol at 25℃; Rate constant; var. solv.;
81494-73-7

Mesoxaldialdehyd-2-(4-ethoxycarbonyl)phenylhydrazon

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
3847-57-2

sodium 4-nitrobenzoate

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;
99-99-0

1-methyl-4-nitrobenzene

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
62-23-7

4-nitro-benzoic acid

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
2344-83-4

(3-chloropropyl)trimethylsilane

555-06-6

sodium p-aminobenzoate

trimethylsilyl-propyl-p-aminobenzoate

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

sodium p-aminobenzoate

75-07-0

acetaldehyde

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

Conditions
ConditionsYield
In water at 25℃; for 24h; Doebner-Miller reaction;95%
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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.