Product Name

  • Name

    3'-BROMOACETANILIDE

  • EINECS
  • CAS No. 621-38-5
  • Article Data60
  • CAS DataBase
  • Density 1.543g/cm3
  • Solubility
  • Melting Point 87-89 °C
  • Formula C8H8 Br N O
  • Boiling Point 349.2°C at 760 mmHg
  • Molecular Weight 214.062
  • Flash Point 165°C
  • Transport Information
  • Appearance
  • Safety Moderately toxic by intraperitoneal route. When heated to decomposition it emits toxic vapors of NOx and Br−.
  • Risk Codes
  • Molecular Structure Molecular Structure of 621-38-5 (3'-BROMOACETANILIDE)
  • Hazard Symbols
  • Synonyms Acetanilide,3'-bromo- (6CI,7CI,8CI); 3-Bromoacetanilide; 3'-Bromoacetanilide;N-(3-Bromophenyl)acetamide; NSC 408071; m-Bromoacetanilide
  • PSA 29.10000
  • LogP 2.48050

3-Bromoacetanilide Chemical Properties

Molecular Structure of 3-Bromoacetanilide (621-38-5):

IUPAC Name: N-(3-Bromophenyl)acetamide 
Molecular Formula: C8H8BrNO
Molecular Weight: 214.059220 g/mol
XLogP3 2.3
H-Bond Donor 1
H-Bond Acceptor 1
Canonical SMILES: CC(=O)NC1=CC(=CC=C1)Br
InChI: InChI=1S/C8H8BrNO/c1-6(11)10-8-4-2-3-7(9)5-8/h2-5H,1H3,(H,10,11)
InChIKey: XXHOHJTVFUJJMT-UHFFFAOYSA-N
Index of Refraction: 1.611
Molar Refractivity: 48.21 cm3
Molar Volume: 138.7 cm3
Surface Tension: 46.1 dyne/cm
Density: 1.543 g/cm3
Flash Point: 165 °C
Enthalpy of Vaporization: 59.37 kJ/mol
Boiling Point: 349.2 °C at 760 mmHg
Vapour Pressure: 4.77E-05 mmHg at 25 °C
Water Solubility: 393.9 mg/L at 25 °C
BRN: 2086784

3-Bromoacetanilide Toxicity Data With Reference

1.    

ipr-mus LD :>500 mg/kg

     CBCCT*    “Summary Tables of Biological Tests“ National Research Council Chemical-Biological Coordination Center. 6 (1954),51.

3-Bromoacetanilide Safety Profile

Moderately toxic by intraperitoneal route. When heated to decomposition it emits toxic vapors of NOx and Br−.

3-Bromoacetanilide Specification

  3-Bromoacetanilide (621-38-5) is organic intermediate, also known as 4-12-00-01494 (Beilstein Handbook Reference) ; m-Bromoacetanilide ; Acetamide, N-(3-bromophenyl)- (9CI) ; Acetanilide, 3'-bromo- .  3-Bromoacetanilide (621-38-5) can be obtained by reaction of Acetaldehyde diethyl acetal and Chlorination.

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