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528-45-0

528-45-0 structural image
Product Name: 3,4-Dinitrobenzoic acid
Formula: C7H4N2O6
Synonyms: 3,4-DNBA
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Off-white or yellow crystalline solid; [Alfa Aesar MSDS]
Vapor Pressure 0.00000141 [mmHg]
Chemical Classes Nitrogen Compounds -> Nitrobenzoic Acids

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07

Health Hazard
GHS08
GHS Hazard Statements H315:Skin corrosion/irritation
H319:Serious eye damage/eye irritation
H335:Specific target organ toxicity, single exposure;Respiratory tract irritation
H341:Germ cell mutagenicity
Precautionary Statement Codes P201:Obtain special instructions before use.
P261:Avoid breathing dust/fume/gas/mist/vapours/spray.
P264:Wash hands thoroughly after handling.
P264:Wash skin thouroughly after handling.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
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 212.12 g/mol
XLogP3 1.1
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 1
Exact Mass 212.00693585 g/mol
Monoisotopic Mass 212.00693585 g/mol
Topological Polar Surface Area 129 Ų
Heavy Atom Count 15
Formal Charge 0
Complexity 293
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