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2-(Chloromethyl)phenylacetic acid

  • Name 2-(Chloromethyl)phenylacetic acid
  • EINECSN/A
  • CAS No. 95335-46-9
  • Density1.277 g/cm3
  • PSA37.30000
  • LogP2.05250
  • SolubilityN/A
  • Melting PointN/A
  • FormulaC9H9ClO2
  • Boiling Point323.754 °C at 760 mmHg
  • Molecular Weight184.622
  • Flash Point149.601 °C
  • Transport InformationN/A
  • AppearanceN/A
  • Safety
  • Risk CodesN/A
  • Molecular Structure
    Molecular Structure of 95335-46-9 (2-(Chloromethyl)phenylacetic acid)
  • Hazard SymbolsN/A
  • SynonymsN/A
  • Article Data4

2-(Chloromethyl)phenylacetic acid Specification

The 2-(Chloromethyl)phenylacetic acid is an organic compound with the formula C9H9ClO2. The systematic name of this chemical is [2-(chloromethyl)phenyl]acetic acid. With the CAS registry number 95335-46-9, it is also named as 2-(Chloromethyl)phenylaceticacid.

Physical properties about 2-(Chloromethyl)phenylacetic acid are: (1)ACD/LogP: 1.75; (2)ACD/LogD (pH 5.5): 1; (3)ACD/LogD (pH 7.4): -1; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 12; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 37.3 Å2; (12)Index of Refraction: 1.566; (13)Molar Refractivity: 47.132 cm3; (14)Molar Volume: 144.572 cm3; (15)Polarizability: 18.685×10-24cm3; (16)Surface Tension: 48.194 dyne/cm; (17)Density: 1.277 g/cm3; (18)Flash Point: 149.601 °C; (19)Enthalpy of Vaporization: 59.721 kJ/mol; (20)Boiling Point: 323.754 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: ClCc1ccccc1CC(=O)O
(2)InChI: InChI=1/C9H9ClO2/c10-6-8-4-2-1-3-7(8)5-9(11)12/h1-4H,5-6H2,(H,11,12)
(3)InChIKey: RFYCQJHCAPCSTA-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C9H9ClO2/c10-6-8-4-2-1-3-7(8)5-9(11)12/h1-4H,5-6H2,(H,11,12)
(5)Std. InChIKey: RFYCQJHCAPCSTA-UHFFFAOYSA-N

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