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99-31-0

99-31-0 structural image
Product Name: 5-Aminoisophthalic acid
Formula: C8H7NO4
Synonyms: 5-Aminobenzene-1,3-dicarboxylic acid;5-Aminoisophthalic acid
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Light brown powder; [Alfa Aesar MSDS]
Chemical Classes Nitrogen Compounds -> Amines, Aromatic

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H302:Acute toxicity,oral
H319:Serious eye damage/eye irritation
Precautionary Statement Codes P264:Wash hands thoroughly after handling.
P264:Wash skin thouroughly after handling.
P270:Do not eat, drink or smoke when using this product.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
P337+P313:IF eye irritation persists: Get medical advice/attention.

COMPUTED DESCRIPTORS

Molecular Weight 181.15 g/mol
XLogP3 0.3
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 2
Exact Mass 181.03750770 g/mol
Monoisotopic Mass 181.03750770 g/mol
Topological Polar Surface Area 101 Ų
Heavy Atom Count 13
Formal Charge 0
Complexity 206
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

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