Product Name

  • Name

    ALPHA-CHLORO-9-ANTHRALDOXIME

  • EINECS
  • CAS No. 113003-49-9
  • Article Data5
  • CAS DataBase
  • Density 1.27 g/cm3
  • Solubility
  • Melting Point
  • Formula C15H10ClNO
  • Boiling Point 483.6 °C at 760 mmHg
  • Molecular Weight 255.7
  • Flash Point 246.3 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 113003-49-9 (ALPHA-CHLORO-9-ANTHRALDOXIME)
  • Hazard Symbols
  • Synonyms ALPHA-CHLORO-9-ANTHRALDOXIME;-Chloro-9-anthraldoxime;A-CHLORO-9-ANTHRALDOXIME
  • PSA 32.59000
  • LogP 4.36760

α-Chloro-9-anthraldoxime Specification

The α-Chloro-9-anthraldoxime, with the CAS registry number of 113003-49-9, is also known as 9-Anthracenecarboximidoyl chloride, N-hydroxy-. This chemical's molecular formula is C15H10ClNO and molecular weight is 255.7. What's more, its systematic name is called N-Hydroxyanthracene-9-carboximidoyl chloride.

Physical properties aboutα-Chloro-9-anthraldoxime are: (1)ACD/LogP: 5.13; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.13; (4)ACD/LogD (pH 7.4): 5.13; (5)ACD/BCF (pH 5.5): 4679.21; (6)ACD/BCF (pH 7.4): 4675.6; (7)ACD/KOC (pH 5.5): 14746.93; (8)ACD/KOC (pH 7.4): 14735.55; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 21.59 Å2; (13)Index of Refraction: 1.645; (14)Molar Refractivity: 72.53 cm3; (15)Molar Volume: 199.8 cm3; (16)Surface Tension: 47 dyne/cm; (17)Density: 1.27 g/cm3; (18)Flash Point: 246.3 °C; (19)Enthalpy of Vaporization: 78.87 kJ/mol; (20)Boiling Point: 483.6 °C at 760 mmHg; (21)Vapour Pressure: 3.64E-10 mmHg at 25 °C.

Uses of α-Chloro-9-anthraldoxime: it is used to produce other chemicals. For example, it is used to produce C29H29NO10S at ambient temperature. The reaction needs reagent NEt3. Meanwhile, it needs solvents Diethyl ether and CH2Cl2. The reaction time is 1 hour. The yield is about 96 %.

α-Chloro-9-anthraldoxime can react with tetra-O-Acetyl-b-D-1-thio-glucopyranose to get C29H29NO10S.

You can still convert the following datas into molecular structure:
(1) SMILES: Cl\C(=N\O)c2c3c(cc1c2cccc1)cccc3
(2) InChI: InChI=1/C15H10ClNO/c16-15(17-18)14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)14/h1-9,18H/b17-15+
(3) InChIKey: HNCKUONLZVGZKH-BMRADRMJBT

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