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556-08-1

556-08-1 structural image
Product Name: p-Acetylamino benzoic acid
Formula: C9H9NO3
Synonyms: N-Acetyl-PABA
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description P-acetamidobenzoic acid appears as needles or off-white powder. (NTP, 1992)
Melting Point 493.7 °F (NTP, 1992)
Solubility >26.9 [ug/mL] (The mean of the results at pH 7.4)
Vapor Pressure 0.00000071 [mmHg]
LogP 1.31
Kovats Retention Index 2227
Chemical Classes Nitrogen Compounds -> Aminobenzoic Acids

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H315:Skin corrosion/irritation
H319:Serious eye damage/eye irritation
H335:Specific target organ toxicity, single exposure;Respiratory tract irritation
Precautionary Statement Codes P261:Avoid breathing dust/fume/gas/mist/vapours/spray.
P304+P340:IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
P405:Store locked up.

COMPUTED DESCRIPTORS

Molecular Weight 179.17 g/mol
XLogP3 1.3
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 2
Exact Mass 179.058243149 g/mol
Monoisotopic Mass 179.058243149 g/mol
Topological Polar Surface Area 66.4 Ų
Heavy Atom Count 13
Formal Charge 0
Complexity 207
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

P-acetamidobenzoic acid appears as needles or off-white powder. (NTP, 1992)

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