3,4-Dinitrobenzoic acid

CAS
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Purity
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CAS
528-45-0
Size
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Purity
95%
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Catalog Number

ACM528450

Product Name

3,4-Dinitrobenzoic acid

Structure

CAS

528-45-0

Category

Heterocyclic Organic Compound

Synonyms

Benzoic acid, 3,4-dinitro-

IUPAC Name

3,4-dinitrobenzoic acid

Molecular Weight

212.11

Molecular Formula

C7H4N2O6

Canonical SMILES

C1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])[N+](=O)[O-]

InChI Key

OMVRRHJJQILIJX-UHFFFAOYSA-N

Boiling Point

459ºC at 760 mmHg

Melting Point

165-167ºC

Flash Point

208.4ºC

Density

1.688 g/cm³

Appearance

light yellow solid;

Complexity

293

Defined Atom Stereocenter Count

EC Number

208-433-9

Exact Mass

212.0069

Formal Charge

Hazard Statements

Xi:Irritant;

H-Bond Acceptor

H-Bond Donor

Heavy Atom Count

Hydrogen Bond Acceptor Count

Hydrogen Bond Donor Count

Isotope Atom Count

Monoisotopic Mass

212.0069

Rotatable Bond Count

Safety Description

S26-S37/39

Stability

Stable at room temperature in closed containers under normal storage and handling conditions.

Topological Polar Surface Area

129 Å²

MSDS

Download MSDS

COA

Download COA

Spec Sheet

Download Spec Sheet

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