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Basic Information
CAS No.: 13138-53-9
Name: 4-Nitrophthaldiamide
Article Data: 17
Molecular Structure:
Molecular Structure of 13138-53-9 (4-Nitrophthaldiamide)
Formula: C8H7N3O4
Molecular Weight: 209.161
Synonyms: 4-Nitro-1,2-benzenedicarboxamide;4-nitrobenzene-1,2-dicarboxamide;
EINECS: 236-070-6
Density: 1.508 g/cm3
Melting Point: 195 °C (dec.)(lit.)
Boiling Point: 418.496 °C at 760 mmHg
Flash Point: 206.899 °C
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-37/39
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  • 4-Nitrophthalamide

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    4-Nitrophthalamide

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    Comprehensive range product, High quality, Quick shippment, COA with spectras Package:1g Application:pharmaceutical industry, food industry, research

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  • 4-Nitrophthalamide

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    4-Nitrophthalamide

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Chemistry

Molecule structure of 4-Nitrophthalamide (CAS NO.13138-53-9):

IUPAC Name: 4-Nitrobenzene-1,2-dicarboxamide 
Molecular Weight: 209.15888 g/mol
Molecular Formula: C8H7N3O4 
Density: 1.508 g/cm3 
Melting Point: 195 °C (dec.)(lit.)
Boiling Point: 418.5 °C at 760 mmHg 
Flash Point: 206.9 °C
Index of Refraction: 1.651
Molar Refractivity: 50.65 cm3
Molar Volume: 138.6 cm3
Polarizability: 20.08×10-24 cm3
Surface Tension: 77.6 dyne/cm
Enthalpy of Vaporization: 67.21 kJ/mol
Vapour Pressure: 3.27E-07 mmHg at 25 °C
XLogP3: -0.4
H-Bond Donor: 2
H-Bond Acceptor: 4
Rotatable Bond Count: 2
Tautomer Count: 4
Exact Mass: 209.043656
MonoIsotopic Mass: 209.043656
Topological Polar Surface Area: 129
Heavy Atom Count: 15
Canonical SMILES: C1=CC(=C(C=C1[N+](=O)[O-])C(=O)N)C(=O)N
InChI: InChI=1S/C8H7N3O4/c9-7(12)5-2-1-4(11(14)15)3-6(5)8(10)13/h1-3H,(H2,9,12)(H2,10,13)
InChIKey: XWCDSCYRIROFIO-UHFFFAOYSA-N
EINECS: 236-070-6
Product Categories of 4-Nitrophthalamide (CAS NO.13138-53-9): N; Stains and Dyes; Stains&Dyes, A to

Safety Profile

Hazard Codes: IrritantXi
Risk Statements: 36/37/38 
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-37/39 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S37/39:Wear suitable gloves and eye/face protection.
WGK Germany: 1

Specification

 4-Nitrophthalamide (CAS NO.13138-53-9) is also named as NSC 94821 ; 1,2-Benzenedicarboxamide, 4-nitro- ; 4-nitro-2-benzenedicarboxamide ; Nitrophthalamide, 98% .