4-Aminobenzoic acid/HIGH PURITY CAS NO.150-13-0

Product Name: 4-Aminobenzoic acid

Synonyms: Conivaptan impurity B;VITAMIN H1;VITAMIN BX;RARECHEM AL BO 0238;PABA;P-AMINOBENZOIC ACID;P-ANIMOBENZOIC ACID;PARA AMINO BENZOIC ACID

CAS: 150-13-0

MF: C7H7NO2

MW: 137.14

EINECS: 205-753-0

Product Categories: AMINOACID;Benzene derivatives;Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts;Organic acids;Anilines (Building Blocks for Liquid Crystals);Benzoic Acids (Building Blocks for Liquid Crystals);Bifunctional Compounds (Building Blocks for Liquid Crystals);Building Blocks for Liquid Crystals;Functional Materials;Amines;Aromatics;Intermediates & Fine Chemicals;Pharmaceuticals;Pharmaceutical intermediates;-;Intermediate;amine | carboxylic acid;NEXIUM;buildingblock

Mol File: 150-13-0.mol

4-Aminobenzoic acid Structure

4-Aminobenzoic acid Chemical Properties

Melting point 187-189 °C(lit.)

Boiling point 251.96°C (rough estimate)

density 1.374 g/mL at 25 °C(lit.)

refractive index 1.5323 (estimate)

Fp 250 °C

storage temp. 2-8°C

solubility 95% ethanol: soluble5%, clear to slightly hazy, colorless to yellow

form Crystalline Powder

pka 2.50, 4.87(at 25℃)

color White to light yellow

PH 3.5 (5g/l, H2O, 20℃)

Water Solubility 4.7 g/L (20 ºC)

Sensitive Air & Light Sensitive

Merck 14,423

BRN 471605

Stability: Stable. Incompatible with strong oxidizing agents. Combustible. Sensitive to light and air. May discolour on exposure to light.

InChIKey ALYNCZNDIQEVRV-UHFFFAOYSA-N

CAS DataBase Reference 150-13-0(CAS DataBase Reference)

NIST Chemistry Reference p-Aminobenzoic acid(150-13-0)

EPA Substance Registry System Benzoic acid, 4-amino-(150-13-0)

Safety Information

Hazard Codes Xn,Xi

Risk Statements 22-36/37/38-43

Safety Statements 26-36-37/39

WGK Germany 3

RTECS DG1400000

TSCA Yes

HS Code 29224995

Hazardous Substances Data 150-13-0(Hazardous Substances Data)

Toxicity LD50 in mice, rats (g/kg): 2.85, >6.0 orally (Scott, Robbins); LD50 in rabbits (g/kg): 2.0 i.v. (Richards); 1.83 orally (Cronheim)

MSDS Information

Provider Language

1-Amino-4-carboxybenzene English

SigmaAldrich English

ACROS English

ALFA English

4-Aminobenzoic acid Usage And Synthesis

Description 4-Aminobenzoic acid (also known as para-aminobenzoic acid or PABA because the number 4 carbon in the benzene ring is also known as the para position) is an organic compound with the formula H2NC6H4CO2H. PABA is a white solid, although commercial samples can appear gray. It is slightly soluble in water. It consists of a benzene ring substituted with amino and a carboxyl groups. The compound occurs naturally. The potassium salt is used as a drug against fibrotic skin disorders, such as Peyronie's disease, under the trade name Potaba. PABA is also occasionally used in pill form by sufferers of irritable bowel syndrome to treat its associated gastrointestinal symptoms, and in nutritional epidemiological studies to assess the completeness of 24-hour urine collection for the determination of urinary sodium, potassium, or nitrogen levels.

Chemical Properties White to off white crystalline powder

Uses Widely distributed in nature as a B complex factor. Baker’s yeast contains 5 to 6 ppm, brewer’s yeast from 10 to 100 ppm. Occurs free and in ester form.

Uses gastric acid secretion inhibitor

Uses octyl dimethyl PABA (padimate-O; p-aminobenzoic acid) is an FDA-approved sunscreen chemical whose InCI name is now ethylhexyl dimethyl PABA.

Uses PABA is a sunscreen chemical with an approved usage level of 5 to 15 percent. It is found to be irritating to sensitive skin, has the potential to cause sensitization, and is considered too water soluble. once extremely popular, this ingredient has practically disappeared from sunscreen formulations. PABA is a yellowish or colorless acid found in vitamin B complex.

Definition ChEBI: An aminobenzoic acid in which the amino group is para to the carboxy group.

Brand name RVPaba Lipstick (ICN).

General Description Colorless crystals that discolor on exposure to light and air.

Reactivity Profile 4-Aminobenzoic acid is incompatible with ferric salts and oxidizing agents.

Hazard Questionable carcinogen.

Safety Profile Moderately toxic by ingestion and intravenous routes. Ingesting large doses can cause nausea, vomiting, skin rash, methemoglobinemia, and possibly toxic hepatitis. Experimental reproductive effects. Mutation data reported. Questionable carcinogen. Combustible. When heated to decomposition it emits toxic fumes of NO,. A topical sunscreen.

Purification Methods Purify p-aminobenzoic acid by dissolving it in 4-5% aqueous HCl at 50-60o, decolorising with charcoal and carefully precipitating it with 30% Na2CO3 to pH 3.5-4 in the presence of ascorbic acid. It can be recrystallised from water, EtOH or EtOH/water mixtures. [Beilstein 14 IV 1126.]

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