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CAS No.: | 555-06-6 |
---|---|
Name: | 4-AMINOBENZOIC ACID SODIUM SALT |
Article Data: | 14 |
Molecular Structure: | |
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: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36 |
PSA: | 66.15000 |
LogP: | 0.21350 |
Conditions | Yield |
---|---|
With sodium hydroxide In ethanol at 69.84℃; for 1h; | 92% |
With sodium hydroxide In water | 90% |
1,1,3,3-Tetramethoxypropan-2-on-(4-ethoxycarbonyl)phenylhydrazon
A
sodium p-aminobenzoate
B
2-Amino-1,1,3,3-tetramethoxypropan
Conditions | Yield |
---|---|
With sodium hydroxide; hydrogen; nickel In methanol at 100℃; under 91938.4 Torr; for 100h; | A n/a B 75% |
Conditions | Yield |
---|---|
With sodium hydroxide In ethanol at 25℃; Rate constant; var. solv.; |
Conditions | Yield |
---|---|
With sodium hydroxide In ethanol at 25℃; Rate constant; var. solv.; |
Mesoxaldialdehyd-2-(4-ethoxycarbonyl)phenylhydrazon
sodium p-aminobenzoate
Conditions | Yield |
---|---|
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 |
Conditions | Yield |
---|---|
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; |
Conditions | Yield |
---|---|
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 |
Conditions | Yield |
---|---|
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 |
Conditions | Yield |
---|---|
In N,N-dimethyl-formamide for 8h; Reflux; | 97% |
Conditions | Yield |
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In water at 25℃; for 24h; Doebner-Miller reaction; | 95% |
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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. |