Product Name

  • Name

    5-Chloro-3-[(dimethylamino)methyl]benzoxazol-2(3H)-one

  • EINECS
  • CAS No. 19986-35-7
  • Density 1.33g/cm3
  • Solubility
  • Melting Point
  • Formula C10H11ClN2O2
  • Boiling Point 327.1°Cat760mmHg
  • Molecular Weight 226.68
  • Flash Point 151.6°C
  • Transport Information
  • Appearance
  • Safety Poison by intraperitoneal route. Moderately toxic by ingestion. When heated to decomposition it emits very toxic fumes of Cl− and NOx.
  • Risk Codes
  • Molecular Structure Molecular Structure of 19986-35-7 (5-Chloro-3-[(dimethylamino)methyl]benzoxazol-2(3H)-one)
  • Hazard Symbols
  • Synonyms
  • PSA 38.38000
  • LogP 1.76700

5-Chloro-3-(dimethylaminomethyl)-2-benzoxazolinone Chemical Properties

Molecule structure of 5-Chloro-3-(dimethylaminomethyl)-2-benzoxazolinone (CAS NO.19986-35-7):

IUPAC Name: 5-Chloro-3-(dimethylaminomethyl)-1,3-benzoxazol-2-one 
Molecular Weight: 226.65954 g/mol
Molecular Formula: C10H11ClN2O2 
Density: 1.33 g/cm3 
Boiling Point: 327.1 °C at 760 mmHg 
Flash Point: 151.6 °C
Index of Refraction: 1.584
Molar Refractivity: 57.08 cm3
Molar Volume: 170.4 cm3
Polarizability: 22.62×10-24 cm3
Surface Tension: 47.7 dyne/cm 
Enthalpy of Vaporization: 56.94 kJ/mol
Vapour Pressure: 0.000206 mmHg at 25 °C
XLogP3: 2.3
H-Bond Acceptor: 3
Rotatable Bond Count: 2
Exact Mass: 226.050905
MonoIsotopic Mass: 226.050905
Topological Polar Surface Area: 32.8
Heavy Atom Count: 15
Complexity: 260
Canonical SMILES: CN(C)CN1C2=C(C=CC(=C2)Cl)OC1=O
InChI: InChI=1S/C10H11ClN2O2/c1-12(2)6-13-8-5-7(11)3-4-9(8)15-10(13)14/h3-5H,6H2,1-2H3
InChIKey: DXPMJCLOFQOSSS-UHFFFAOYSA-N
Classification Code: Drug / Therapeutic Agent

5-Chloro-3-(dimethylaminomethyl)-2-benzoxazolinone Toxicity Data With Reference

1.    

orl-mus LD50:1500 mg/kg

     MDCHAG    Medicinal Chemistry: A Series of Monographs. 4 (1)(1964),308.
2.    

ipr-mus LD50:400 mg/kg

     MDCHAG    Medicinal Chemistry: A Series of Monographs. 4 (1)(1964),308.

5-Chloro-3-(dimethylaminomethyl)-2-benzoxazolinone Safety Profile

Poison by intraperitoneal route. Moderately toxic by ingestion. When heated to decomposition it emits very toxic fumes of Cl− and NOx.

5-Chloro-3-(dimethylaminomethyl)-2-benzoxazolinone Specification

 5-Chloro-3-(dimethylaminomethyl)-2-benzoxazolinone (CAS NO.19986-35-7) is also named as BRN 1215691 ; 2-Benzoxazolinone, 5-chloro-3-((dimethylamino)methyl)- . 5-Chloro-3-(dimethylaminomethyl)-2-benzoxazolinone (CAS NO.19986-35-7) is toxic. It is flammable. It will produce toxic nitrogen oxide, chlorine gas by fire. So the storage environment should be ventilate, low-temperature and dry.

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