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4-Amino-3-nitrobenzophenone

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Name

4-Amino-3-nitrobenzophenone

EINECS 250-631-2
CAS No. 31431-19-3 Density 1.333 g/cm3
PSA 88.91000 LogP 3.51240
Solubility 10 mg/L (20 °C) in water Melting Point 140-143 °C(lit.)
Formula C13H10N2O3 Boiling Point 449.7 °C at 760 mmHg
Molecular Weight 242.234 Flash Point 225.8 °C
Transport Information N/A Appearance yellow powder
Safety 26-37/39-36 Risk Codes 36/37/38-20/21/22
Molecular Structure Molecular Structure of 31431-19-3 (4-Amino-3-nitrobenzophenone) Hazard Symbols HarmfulXn, IrritantXi
Synonyms

Benzophenone,4-amino-3-nitro- (8CI);2-Nitro-4-benzoylaniline;3-Nitro-4-aminobenzophenone;

Article Data 14

4-Amino-3-nitrobenzophenone Chemical Properties

Molecule structure of 4-Amino-3-nitrobenzophenone (CAS NO.31431-19-3):

IUPAC Name: (4-Amino-3-nitrophenyl)-phenylmethanone 
Molecular Weight: 242.2301 g/mol
Molecular Formula: C13H10N2O3 
Density: 1.333 g/cm3 
Melting Point: 140-143 °C(lit.)
Boiling Point: 449.7 °C at 760 mmHg 
Flash Point: 225.8 °C
Index of Refraction: 1.657
Molar Refractivity: 66.82 cm3
Molar Volume: 181.6 cm3
Surface Tension: 61.2 dyne/cm 
Enthalpy of Vaporization: 70.84 kJ/mol
Vapour Pressure: 2.8E-08 mmHg at 25 °C 
Water Solubility: 10 mg/L (20 °C)
XLogP3: 2.6
H-Bond Donor: 1
H-Bond Acceptor: 4
Rotatable Bond Count: 2
Tautomer Count: 4
Exact Mass: 242.069142
MonoIsotopic Mass: 242.069142
Topological Polar Surface Area: 86.2
Heavy Atom Count: 18
Canonical SMILES: C1=CC=C(C=C1)C(=O)C2=CC(=C(C=C2)N)[N+](=O)[O-]
InChI: InChI=1S/C13H10N2O3/c14-11-7-6-10(8-12(11)15(17)18)13(16)9-4-2-1-3-5-9/h1-8H,14H2
InChIKey: NGOOFAMQPUEDJM-UHFFFAOYSA-N
EINECS: 250-631-2
Product Categories: Aromatic Benzophenones & Derivatives (substituted); C13 to C14; Carbonyl Compounds; Ketones

4-Amino-3-nitrobenzophenone Uses

 4-Amino-3-nitrobenzophenone (CAS NO.31431-19-3) is used as a pharmaceutical intermediate.

4-Amino-3-nitrobenzophenone Safety Profile

Hazard Codes: IrritantXi, HarmfulXn
Risk Statements: 36/37/38-20/21/22 
R36/37/38:Irritating to eyes, respiratory system and skin. 
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.
Safety Statements: 26-37/39-36 
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. 
S36:Wear suitable protective clothing.
WGK Germany: 3

4-Amino-3-nitrobenzophenone Specification

 4-Amino-3-nitrobenzophenone (CAS NO.31431-19-3) is also named as (4-Amino-3-nitrophenyl)(phenyl)methanon ; (4-Amino-3-nitrophenyl)(phenyl)methanone ; methanone, (4-amino-3-nitrophenyl)phenyl- ; (4-amino-3-nitrophenyl)phenyl-methanone . 4-Amino-3-nitrobenzophenone (CAS NO.31431-19-3) is yellow powder.

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