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122-28-1

Basic Information
CAS No.: 122-28-1
Name: 3'-NITROACETANILIDE
Article Data: 102
Molecular Structure:
Molecular Structure of 122-28-1 (3'-NITROACETANILIDE)
Formula: C8H8N2O3
Molecular Weight: 180.163
Synonyms: Acetanilide,3'-nitro- (6CI,7CI,8CI);Acetanilide, m-nitro- (3CI);3-Nitro-N-acetylaniline;N-(3-Nitrophenyl)acetamide;N-Acetyl-m-nitroaniline;NSC1314;NSC 99339;m-Nitroacetanilide;3-Nitroacetanilide;
EINECS: 204-532-6
Density: 1.341 g/cm3
Melting Point: 154-158 °C(lit.)
Boiling Point: 379.004 °C at 760 mmHg
Flash Point: 183.015 °C
Appearance: Beige crystalline to brown powder
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38-43
Safety: 26-36/37
PSA: 74.92000
LogP: 2.14940
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Chemistry

Product Name: m-Nitroacetanilide (CAS NO.122-28-1)


Molecular Formula: C8H8N2O3
Molecular Weight: 180.16g/mol
Mol File: 122-28-1.mol
EINECS: 204-532-6
Melting Point: 154-158 °C(lit.)
Boiling point: 379 °C at 760 mmHg
Flash Point: 183 °C
Density: 1.34 g/cm3
Surface Tension: 55.3 dyne/cm
Enthalpy of Vaporization: 62.7 kJ/mol
Vapour Pressure: 6.04E-06 mmHg at 25°C
XLogP3-AA: 1.5
H-Bond Donor: 1
H-Bond Acceptor: 3
Structure Descriptors of m-Nitroacetanilide (CAS NO.122-28-1):
  IUPAC Name: N-(3-nitrophenyl)acetamide
  Canonical SMILES: CC(=O)NC1=CC(=CC=C1)[N+](=O)[O-]
  InChI: InChI=1S/C8H8N2O3/c1-6(11)9-7-3-2-4-8(5-7)10(12)13/h2-5H,1H3,(H,9,11) 
  InChIKey: KFTYNYHJHKCRKU-UHFFFAOYSA-N
Product Categories: Intermediates of Dyes and Pigments; Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts; Anilines, Amides & Amines; Nitro Compounds; Nitrogen Compounds; Organic Building Blocks; Protected Amines

Safety Profile

Safety Information of m-Nitroacetanilide (CAS NO.122-28-1):
Hazard Codes: XiIrritant
Risk Statements: 36/37/38-43  
36:  Irritating to the eyes 
37:  Irritating to the respiratory system 
38:  Irritating to the skin 
43:  May cause sensitization by skin contact
Safety Statements: 26-36/37
26:  In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 
36:  Wear suitable protective clothing  
37:  Wear suitable gloves 
WGK Germany: 3

Specification

 m-Nitroacetanilide , its CAS NO. is 122-28-1, the synonyms are 3'-Nitroacetanilide ; 3-Nitro-N-acetylaniline ; AI3-08832 ; EINECS 204-532-6 ; N-(3-Nitrophenyl)acetamide ; N-Acetyl-m-nitroaniline ; NSC 1314 ; Acetamide, N-(3-nitrophenyl)- ; Acetanilide, 3'-nitro- (8CI) .