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1,3-Benzenedicarbonyldichloride, 4-methoxy-

  • Name 1,3-Benzenedicarbonyldichloride, 4-methoxy-
  • EINECS236-209-0
  • CAS No. 13235-60-4
  • Density1.401 g/cm3
  • PSA43.37000
  • LogP2.45320
  • SolubilityN/A
  • Melting PointN/A
  • FormulaC9H6Cl2O3
  • Boiling Point344.5 °C at 760 mmHg
  • Molecular Weight233.051
  • Flash Point151.9 °C
  • Transport InformationN/A
  • AppearanceN/A
  • Safety
  • Risk CodesN/A
  • Molecular Structure
    Molecular Structure of 13235-60-4 (4-methoxyisophthaloyl dichloride)
  • Hazard SymbolsN/A
  • SynonymsN/A
  • Article Data8

1,3-Benzenedicarbonyldichloride, 4-methoxy- Specification

The 1,3-Benzenedicarbonyldichloride, 4-methoxy-, with the CAS registry number 13235-60-4, is also known as 4-Methoxyisophthaloyl dichloride. Its EINECS number is 236-209-0. It belongs to the product category of Miscellaneous. This chemical's molecular formula is C9H6Cl2O3 and molecular weight is 233.05. What's more, its systematic name is 4-Methoxybenzene-1,3-dicarbonyl dichloride.

Physical properties of 1,3-Benzenedicarbonyldichloride, 4-methoxy- are: (1)ACD/LogP: 2.46; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.46; (4)ACD/LogD (pH 7.4): 2.46; (5)ACD/BCF (pH 5.5): 43.39; (6)ACD/BCF (pH 7.4): 43.39; (7)ACD/KOC (pH 5.5): 517.17; (8)ACD/KOC (pH 7.4): 517.17; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 43.37 Å2; (13)Index of Refraction: 1.555; (14)Molar Refractivity: 53.42 cm3; (15)Molar Volume: 166.2 cm3; (16)Polarizability: 21.17×10-24 cm3; (17)Surface Tension: 45.4 dyne/cm; (18)Density: 1.401 g/cm3; (19)Flash Point: 151.9 °C; (20)Enthalpy of Vaporization: 58.85 kJ/mol; (21)Boiling Point: 344.5 °C at 760 mmHg; (22)Vapour Pressure: 6.54E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: ClC(=O)c1ccc(OC)c(C(Cl)=O)c1
(2)InChI: InChI=1S/C9H6Cl2O3/c1-14-7-3-2-5(8(10)12)4-6(7)9(11)13/h2-4H,1H3
(3)InChIKey: FKPCRVTXBLUQBV-UHFFFAOYSA-N

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