Name: 4-Amino-3-nitrobenzophenone
SKU: 31431-19-3

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Basic Information

Molecular Structure:
CAS No.:	31431-19-3
Name:	4-Amino-3-nitrobenzophenone
Article Data:	14

Formula:	C₁₃H₁₀N₂O₃
Molecular Weight:	242.234
Synonyms:	Benzophenone,4-amino-3-nitro- (8CI);2-Nitro-4-benzoylaniline;3-Nitro-4-aminobenzophenone;
EINECS:	250-631-2
Density:	1.333 g/cm³
Melting Point:	140-143 °C(lit.)
Boiling Point:	449.7 °C at 760 mmHg
Flash Point:	225.8 °C
Solubility:	10 mg/L (20 °C) in water
Appearance:	yellow powder
Hazard Symbols:	Xn, Xi
Risk Codes:	36/37/38-20/21/22
Safety:	26-37/39-36
PSA:	88.91000
LogP:	3.51240

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Chemistry

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

Uses

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

Safety Profile

Hazard Codes: Irritant Xi, Harmful Xn
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

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.