CAS 150-13-0 4-Aminobenzoic acid - Materials / Alfa Chemistry

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4-Aminobenzoic acid

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Catalog Number

ACM150130-1

Product Name

4-Aminobenzoic acid

Structure

CAS

150-13-0

Category

Liquid Crystal (LC) Building Blocks

Synonyms

4-Aminobenzoic acid;PABA,Vitamin Bx,Vitamin H1;Benzoic acid, 4-amino-;

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, a white-grey crystalline substance, is only slightly soluble in water. It consists of a benzene ring substituted with an amino group and a carboxyl group.

IUPAC Name

4-aminobenzoic acid

Molecular Weight

137.14g/mol

Molecular Formula

C7H7NO2

Canonical SMILES

C1=CC(=CC=C1C(=O)O)N

InChI

InChI=1S/C7H7NO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,8H2,(H,9,10)

InChI Key

ALYNCZNDIQEVRV-UHFFFAOYSA-N

Melting Point

186-189ºC

Flash Point

159.4ºC

Density

1.374

Solubility

0.04 M;In water, 5,390 mg/L at 25 °C; 6,110 mg/L at 30 °C;One gram dissolves in 90 mL boiling water; in 8 ml alcohol, in 60 mL ether. Soluble in ethyl acetate, glacial acetic acid; slightly soluble in benzene; practically insoluble in petroleum ether.;Freely soluble in alcohol;Soluble in alkalis and ethane (C2H6);Soluble in oxygenated solvents;Soluble in ethanol and ether; slightly soluble in acetone; insoluble in chloroform and benzene;Solubility in 90% ethanol, 11.3% at 9.6 °C; solubility in benzene, 0.06% at 11 °C;The solubility of 4-aminobenzoic acid is 6.1 g/L at 30 °C in water, 125 g/L alcohol and 17 g/L ether; it is soluble in ethyl acetate and glacial acetic acid, slightly soluble in benzene, and practically insoluble in petroleum ether.;6.11 mg/mL;>20.6 [ug/mL]

Appearance

White to off white crystalline powder

Color/Form

Monoclinic prisms from dilute alcohol;Light buff crystals; white when pure;Yellowish to red crystals or prisms;White or slightly yellow crystals or crystalline powder

Complexity

128

Covalently-Bonded Unit Count

EC Number

205-753-0

Exact Mass

137.047678g/mol

Formal Charge

Hazard Statements

Xn,Xi

Heavy Atom Count

Log P

1.54820

MDL Number

MFCD00007894

MeSH Entry Terms

4 Aminobenzoic Acid;4 Aminobenzoic Acid, Potassium Salt;4-Aminobenzoate, Potassium;4-Aminobenzoic Acid;4-Aminobenzoic Acid, Potassium Salt;Aminobenzoate, Potassium;Aminobenzoic Acid (USP);Epit Vit;Epitelplast;Hachemina;Magnesium para-Aminobenzoate;p Aminobenzoic Acid;p-Aminobenzoic Acid;PABA;Pabasan;para Aminobenzoic Acid;para-Aminobenzoate, Magnesium;para-Aminobenzoic Acid;Paraminan;Paraminol;Potaba;Potassium 4 Aminobenzoate;Potassium 4-Aminobenzoate;Potassium Aminobenzoate

Monoisotopic Mass

137.047678g/mol

NSC Number

7627

Odor

Odorless

Other Experimental

May turn slightly yellow on prolonged exposure to light and air;Henry's Law constant = 1.5X10-10 atm-cu m/mole at 25 °C (est);Hydroxyl radical reaction rate constant = 4.0X10-11 cu cm/molecule sec at 25 °C (est)

Refractive Index

1.5795

Rotatable Bond Count

RTECS Number

DG1400000

Safety Description

26-36-37/39

Stability

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

Storage Conditions

2-8ºC

Supplemental Hazard Statements